SCHEMBL182349

SCHEMBL182349

COC(=O)c1ccc(Cn2nc(-c3ccc(C(C)C)cc3)oc2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.61
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
ABHD6 Q9BV23 1/20 0.47
MGLL Q99685 3/20 0.44
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGER4 P35408 1/20 0.40
P2RX3 P56373 1/20 0.40
DRD2 P14416 1/20 0.40
TBXA2R P21731 1/20 0.40

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
SCHEMBL182293 0.88 PTGER4 (0.49) FAAHGAAMGLLPTGER4
SCHEMBL11859998 0.78 FAAH (0.53) FAAHKMT2AMEN1GAARAB9A
SCHEMBL26915283 0.76 RAB9A (0.50) RAB9APOLBALDH1A1
SCHEMBL2627834 0.72 CA1 (0.56) RAB9AALDH1A1L3MBTL1
SCHEMBL27983573 0.71 ESRRG (0.61) KMT2AMEN1RAB9A
SCHEMBL84424 0.71 CA1 (0.59) KMT2AMEN1GAARAB9AALDH1A1
SCHEMBL1505277 0.70 MAPT (0.64) KMT2ARAB9APOLBALDH1A1
SCHEMBL1505255 0.70 MAPT (0.64) KMT2ARAB9APOLBALDH1A1
SCHEMBL2100901 0.70 CSNK2A1 (0.43) FAAHABHD6MGLLP2RX3
SCHEMBL25413052 0.69 RAB9A (0.46) FAAHKMT2AMEN1GAARAB9A

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 FAAH 4821/4885KMT2A 1501/4885MEN1 3684/4885
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 FAAH 4821/4885KMT2A 1501/4885MEN1 3684/4885

“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.