SCHEMBL4757995

SCHEMBL4757995

N#Cc1nnn(Cc2c(F)cccc2Cl)c1N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 6/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MAPK1 P28482 1/20 0.40
CYP2A13 Q16696 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
SCHEMBL4759868 0.79 GRM2 (0.46) KMT2AALDH1A1TSHRMEN1MAPT
SCHEMBL4790589 0.75 POLB (0.45) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL10888984 0.75 HPGD (0.55) ALDH1A1TSHR
SCHEMBL4757994 0.74 GRM2 (0.49) HSD17B10KMT2AALDH1A1LMNAKDM4E
SCHEMBL4058117 0.69 CDK1 (0.38) ALDH1A1TAAR1MAPT
SCHEMBL9857903 0.69 CA5A (0.46) HSD17B10KMT2AALDH1A1TSHRMEN1
SCHEMBL6357202 0.68 P2RX7 (0.61) KMT2AALDH1A1MAPT
SCHEMBL633646 0.67 KMT2A (0.53) KMT2AMEN1TAAR1GAAMAPT
Hydrochloric Acid SCHEMBL6361015 0.67 P2RX7 (0.60) KMT2AALDH1A1MAPT
SCHEMBL10664757 0.67 NPSR1 (0.57) KMT2AALDH1A1TSHRMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US disclosed
EP-1499614-A4 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2005-08-24 EP disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
EP-1499614-A1 ADENOSINE A3 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2005-01-26 EP disclosed
WO-2003095457-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-11-20 WO disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US disclosed
US-6448253-B1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-09-10 US disclosed
US-6407236-B1 TUMOR DIAGNOSIS; ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; ANTIDEPRESSANTS MEDCO RESEARCH, INC. 2002-06-18 US disclosed
WO-2000015231-A9 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RES INC (US) 2000-08-17 WO disclosed
WO-2000015231-A1 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RESEARCH INC. (US) 2000-03-23 WO disclosed
WO-1995001356-A1 1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A2 RECEPTOR SCHERING-PLOUGH S.P.A. (IT) 1995-01-12 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 (3 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-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 HSD17B10 3706/4885KMT2A 2803/4885ALDH1A1 549/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 HSD17B10 3706/4885KMT2A 2803/4885ALDH1A1 549/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 HSD17B10 3817/4885KMT2A 2948/4885ALDH1A1 620/4885

“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.