SCHEMBL4760122

SCHEMBL4760122

N#Cc1nn(Cc2ccccc2)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CYP19A1 P11511 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BCAT1 P54687 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7336875 0.84 CYP11B1 (0.42) CYP19A1ALDH1A1KDM4ELMNAMEN1
SCHEMBL4094595 0.82 CYP19A1 (0.56) TSHRCYP19A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL4759867 0.78 NPC1 (0.47) SMN1; SMN2RAB9AL3MBTL1ALDH1A1POLB
SCHEMBL1076537 0.72 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1POLBGAA
SCHEMBL11249395 0.70 KDM4E (0.54) TSHRSMN1; SMN2RAB9AL3MBTL1ALDH1A1
SCHEMBL161588 0.69 ADORA2A (0.47) TSHRCYP19A1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10888984 0.69 HPGD (0.55) TSHRSMN1; SMN2ALDH1A1ADORA3ADORA2A
SCHEMBL3130833 0.69 ADORA2A (0.47) TSHRSMN1; SMN2ALDH1A1GAAADORA2A
SCHEMBL4415295 0.68 RAB9A (0.57) TSHRCYP19A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL14839377 0.68 PNP (0.42) TSHRCYP19A1ALDH1A1POLBADORA2A

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 11 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
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US 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 TSHR 72/4885CYP19A1 896/4885SMN1; SMN2 4146/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 TSHR 72/4885CYP19A1 896/4885SMN1; SMN2 4146/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 TSHR 82/4885CYP19A1 1132/4885SMN1; SMN2 4215/4885

“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.