SCHEMBL7001675

SCHEMBL7001675

c1ccc(-c2nn(-c3ccccc3)c3cccc(NC4CCCC4)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46
ADORA3 P0DMS8 6/20 0.45
ADORA1 P30542 2/20 0.45
AOC3 Q16853 1/20 0.44
ADORA2A P29274 3/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
MAPT P10636 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
SCHEMBL7001981 0.99 L3MBTL1 (0.48) L3MBTL1HTTADORA3ADORA1AOC3
SCHEMBL6999852 0.85 MAPT (0.43) ADORA3ADORA1ADORA2ATP53KDM4E
SCHEMBL7001980 0.84 MAPT (0.46) L3MBTL1HTTADORA3ADORA1ADORA2A
SCHEMBL7003936 0.82 BRD4 (0.42) ADORA1KDM4EMAPT
SCHEMBL7003811 0.81 BRD4 (0.44) HTTKDM4EMAPT
SCHEMBL7002906 0.78 CCNA2 (0.49) CCNA2CDK2EGFRSRCKDM4E
SCHEMBL7001338 0.73 CCNA2 (0.45) CCNA2CDK2EGFRSRCMAPT
SCHEMBL7002725 0.72 CCNA2 (0.44) CCNA2CDK2EGFRSRCPTGS2
SCHEMBL6998205 0.72 CCNA2 (0.43) CCNA2CDK2EGFRSRCMAPT
SCHEMBL7001996 0.71 CCNA2 (0.50) CCNA2CDK2EGFRSRCNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140938-B1 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF UNIV PRINCETON (US) 2003-08-27 EP disclosed
EP-1321467-A2 High affinity inhibitors for target validation and uses thereof Princeton University (US) 2003-06-25 EP disclosed
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof PRINCETON UNIVERSITY 2003-04-17 US disclosed
US-6383790-B1 PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS PRINCETON UNIVERSITY 2002-05-07 US disclosed
EP-1140938-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF Princeton University (US) 2001-10-10 EP disclosed
WO-2000042042-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF PRINCETON UNIVERSITY (US) 2000-07-20 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 (1 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-20030073218-A1 High affinity inhibitors for target validation and uses thereof SRC, MARCKS, TEC L3MBTL1 1171/4885HTT 3135/4885ADORA3 4644/4885

“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.