SCHEMBL314520

SCHEMBL314520

Cc1cccc(C(=O)NN)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 1.00
GRM5 P41594 3/20 0.64
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
CTSA P10619 2/20 0.50
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FPR2 P25090 1/20 0.45
CHRNA7 P36544 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
SORT1 Q99523 1/20 0.44

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
SCHEMBL1142172 0.86 P2RX7 (0.74) P2RX7ALDH1A1GAAMAPTPOLB
SCHEMBL18157932 0.84 P2RX7 (0.72) P2RX7GRM5MAPTCTSARAB9A
SCHEMBL27362579 0.82 P2RX7 (0.70) P2RX7GRM5ALDH1A1MAPTCTSA
SCHEMBL8300009 0.82 P2RX7 (0.70) P2RX7GRM5MAPTCTSARAB9A
SCHEMBL14875686 0.82 P2RX7 (0.70) P2RX7GRM5ALDH1A1MAPTCTSA
SCHEMBL12163955 0.81 P2RX7 (0.69) P2RX7GRM5CTSARAB9ANPC1
SCHEMBL3739438 0.81 P2RX7 (0.68) P2RX7GRM5ALDH1A1GAAMAPT
SCHEMBL18246383 0.81 P2RX7 (0.68) P2RX7ALDH1A1GAAMAPTRAB9A
SCHEMBL18519145 0.81 P2RX7 (0.68) P2RX7ALDH1A1GAAMAPTRAB9A
SCHEMBL6451392 0.80 P2RX7 (0.67) P2RX7GRM5ALDH1A1MAPTCTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP claimed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO claimed
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF ANACOR PHARMACEUTICALS INC (US) 2021-08-19 US disclosed
EP-3388428-B1 FIVE-MEMBERED HETEROCYCLIC AMIDES WNT PATHWAY INHIBITOR SUZHOU SINOVENT PHARMACEUTICALS COMPANY (CN) 2021-08-04 EP disclosed
US-10941151-B2 Chiral N-acyl-5,6,7(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor mediated disorders and chiral synthesis thereof OGEDA SA (BE) 2021-03-09 US disclosed
US-10941151-B2 Chiral N-acyl-5,6,7(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor mediated disorders and chiral synthesis thereof OGEDA SA (BE) 2021-03-09 US disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
EP-3541803-B1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-10821104-B2 Five-membered heterocyclic amides WNT pathway inhibitor Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2020-11-03 US disclosed
CN-108137545-B Triazole agonists of the APJ receptor 美国安进公司 2020-09-22 CN disclosed
WO-2011121137-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2011-10-06 WO disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 US disclosed
US-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
WO-2007079820-A1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2007-07-19 WO disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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 (6 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-10821104-B2 Five-membered heterocyclic amides WNT pathway inhibitor WNT1, WNT3, WNT3A P2RX7 3229/4885GRM5 2560/4885ALDH1A1 2714/4885
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF OXA1L, AOX1, EPX P2RX7 849/4885GRM5 2437/4885ALDH1A1 626/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 P2RX7 1117/4885GRM5 2399/4885ALDH1A1 4337/4885
US-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 P2RX7 3204/4885GRM5 2353/4885ALDH1A1 2295/4885
US-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors TGFBR1, TGFBR2, ACVR1 P2RX7 2462/4885GRM5 2023/4885ALDH1A1 699/4885
US-10941151-B2 Chiral N-acyl-5,6,7(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor mediated disorders and chiral synthesis thereof GPR3, ACKR3, TAC3 P2RX7 123/4885GRM5 110/4885ALDH1A1 2479/4885

“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.