SCHEMBL182215

SCHEMBL182215

COC(=O)c1ccc(-n2nc(-c3cccc(C#N)c3)oc2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.43
PLAU P00749 1/20 0.42
GRM5 P41594 1/20 0.41
TSHR P16473 2/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 1/20 0.41
HPSE Q9Y251 1/20 0.40
DHODH Q02127 1/20 0.40
ESR1 P03372 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
VDR P11473 1/20 0.40
RXRA P19793 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP2 O95551 2/20 0.40
ABHD6 Q9BV23 1/20 0.39
DGAT2 Q96PD7 2/20 0.39

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
SCHEMBL182076 0.87 RARG (0.45) GRM5TSHRHPSEALDH1A1TP53
SCHEMBL6659038 0.76 PLAU (0.60) SIRT5PLAUNAMPT
SCHEMBL20898270 0.76 RAB9A (0.57) PLAUHPSEALDH1A1TP53HSD17B10
SCHEMBL7822720 0.75 PLAU (0.61) PLAU
SCHEMBL4451494 0.73 NPC1 (0.60) PLAUGRM5TSHRTP53HSD17B10
SCHEMBL182185 0.73 GRM5 (0.51) SIRT5PLAUGRM5TDP2TP53
SCHEMBL6578619 0.72 CYP11B1 (0.55) PLAUGRM5TSHRMAPK1ALDH1A1
SCHEMBL60040 0.72 MRGPRX4 (0.56) PLAUGRM5TSHRTP53
SCHEMBL30444713 0.72 MRGPRX4 (0.56) PLAUGRM5TSHRTP53
SCHEMBL2708056 0.71 NPC1 (0.45) PTGS1ALDH1A1TP53

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 SIRT5 2078/4885PLAU 3902/4885GRM5 1818/4885
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 SIRT5 2078/4885PLAU 3902/4885GRM5 1818/4885

“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.