SCHEMBL181971

SCHEMBL181971

Cc1ccc(-n2cnc(-c3cccc(C(=O)O)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 1/20 0.44
STIM1 Q13586 2/20 0.43
ORAI1 Q96D31 2/20 0.43
KMO O15229 2/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
DHODH Q02127 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
MYC P01106 1/20 0.41
POLB P06746 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL182399 0.91 KMO (0.46) SMN1; SMN2NPC1RAB9ATSHRSTIM1
SCHEMBL181891 0.89 KMO (0.53) SMN1; SMN2NPC1RAB9ATSHRSTIM1
SCHEMBL181897 0.89 KMO (0.51) SMN1; SMN2NPC1RAB9ATSHRKMO
SCHEMBL182388 0.88 MEN1 (0.48) SMN1; SMN2NPC1RAB9ATSHRKMO
SCHEMBL182474 0.87 KMO (0.43) SMN1; SMN2NPC1RAB9ASTIM1ORAI1
SCHEMBL182287 0.87 CSNK2A1 (0.46) CSNK2A1SMN1; SMN2NPC1RAB9ASTIM1
SCHEMBL182147 0.86 STIM1 (0.54) CSNK2A1SMN1; SMN2NPC1RAB9ASTIM1
SCHEMBL182157 0.86 MRGPRX4 (0.45) SMN1; SMN2NPC1RAB9ASTIM1ORAI1
SCHEMBL182268 0.85 MEN1 (0.47) CSNK2A1SMN1; SMN2STIM1ORAI1KMO
SCHEMBL182430 0.84 RPA1 (0.47) SMN1; SMN2NPC1RAB9ATSHRKMO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 US disclosed
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 US disclosed
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
EP-2363129-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-09-07 EP disclosed
EP-2316452-A1 Pyrrol derivatives, uses thereof PTC Therapeutics, Inc. (US) 2011-05-04 EP disclosed
EP-2316452-A1 Pyrrol derivatives, uses thereof PTC Therapeutics, Inc. (US) 2011-05-04 EP disclosed
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH THERAPEUTICS, INC. (US) 2011-02-24 US disclosed
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH THERAPEUTICS, INC. (US) 2011-02-24 US disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 US disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 US disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 US disclosed
CN-101076332-A Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC THERAPEUTICS INC (US) 2007-11-21 CN disclosed
WO-2007117438-A2 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. (US) 2007-10-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH UPF1, DNAJC10, RNGTT CSNK2A1 853/4885SMN1; SMN2 436/4885NPC1 2442/4885
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH UPF1, DNAJC10, RNGTT CSNK2A1 1088/4885SMN1; SMN2 546/4885NPC1 2269/4885
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, RNMT, VHL CSNK2A1 560/4885SMN1; SMN2 997/4885NPC1 1560/4885
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL CSNK2A1 560/4885SMN1; SMN2 997/4885NPC1 1560/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.