SCHEMBL2444880

SCHEMBL2444880

CN([C]=O)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.54
CHKA P35790 1/20 0.54
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
HBB P68871 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.34
SLC6A2 P23975 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL5182072 0.82 ALDH1A1 (0.42) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL209159 0.75 KMT2A (0.48) KMT2AMEN1NPC1ALOX15RAB9A
SCHEMBL28787804 0.74 CHRM5 (0.73) CHRM5CHKAMAPTSMN1; SMN2KMT2A
SCHEMBL348708 0.74 KCNA5 (0.43) HTT
SCHEMBL2091671 0.73 ALDH1A1 (0.52) MAPTSMN1; SMN2KMT2AMEN1ALOX15
SCHEMBL2090723 0.71 CYP2A6 (0.38) MAPTALOX15RAB9AKDM4EHTT
SCHEMBL2096457 0.71 ALDH1A1 (0.45) CHKAMAPTALOX15RAB9AKDM4E
SCHEMBL2096895 0.71 APP (0.43) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL7826817 0.71 APP (0.43) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL2099515 0.71 APP (0.43) ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
JP-2002539201-A 2002-11-19 JP claimed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP claimed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-7538084-B2 Cyclosporins AMR TECHNOLOGY, INC. (US) 2009-05-26 US disclosed
US-20040235716-A1 Novel cyclosporins CURIA GLOBAL, INC. 2004-11-25 US disclosed
WO-2004082629-A2 NOVEL CYCLOSPORINS ALBANY MOLECULAR RESEARCH, INC. (US) 2004-09-30 WO disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-0636141-B1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-06-25 EP disclosed
US-5441960-A 1-pyrimidinylacetamide human leukocyte elastate inhibitors ZENECA LIMITED (GB) 1995-08-15 US disclosed
EP-0636141-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS. ZENECA LTD (GB) 1995-02-01 EP disclosed
WO-1993021210-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 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 (5 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 CHRM5 708/4885CHKA 3222/4885MAPT 4236/4885
US-20040235716-A1 Novel cyclosporins CHP1, IL2, CCR1 CHRM5 4622/4885CHKA 3183/4885MAPT 4409/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H CHRM5 4810/4885CHKA 2915/4885MAPT 3695/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 CHRM5 674/4885CHKA 3204/4885MAPT 4248/4885
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CHRM5 4836/4885CHKA 1655/4885MAPT 2414/4885

“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.