SCHEMBL182212

SCHEMBL182212

COC(=O)c1cccc(-c2ncn(-c3ccc(N4CCCC4)cc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
QSOX1 O00391 1/20 0.44
PKM P14618 1/20 0.44
TP53 P04637 1/20 0.44
PRKDC P78527 1/20 0.43
GRM5 P41594 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CDK8 P49336 1/20 0.41
MAPK8 P45983 2/20 0.41
MAPK10 P53779 2/20 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
SCHEMBL182487 0.86 ALDH1A1 (0.55) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL182072 0.85 TP53 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL182118 0.85 TP53 (0.46) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL182498 0.84 MEN1 (0.46) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL5743752 0.75 ALDH1A1 (0.66) MRGPRX4NPC1RAB9AALDH1A1LMNA
SCHEMBL182147 0.74 STIM1 (0.54) MRGPRX4NPC1RAB9AALDH1A1LMNA
SCHEMBL12171640 0.74 PRKD1 (0.58) MRGPRX4NPC1RAB9AALDH1A1LMNA
SCHEMBL17125383 0.74 TP53 (0.47) MRGPRX4NPC1RAB9AALDH1A1LMNA
SCHEMBL4203044 0.74 ALDH1A1 (0.64) MRGPRX4NPC1RAB9AALDH1A1LMNA
SCHEMBL182399 0.73 KMO (0.46) NPC1RAB9ASMN1; SMN2TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2402323-A2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2012-01-04 EP 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
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
EP-1799207-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044502-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2006-04-27 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 (2 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-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, RNMT, VHL MRGPRX4 3368/4885NPC1 1560/4885RAB9A 3615/4885
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 MRGPRX4 3368/4885NPC1 1560/4885RAB9A 3615/4885

“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.