SCHEMBL5161963

SCHEMBL5161963

CC(c1ccccc1)n1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CDK5 Q00535 6/20 0.46
▸ CDK5R1 Q15078 6/20 0.46
▸ CCNA2 P20248 6/20 0.46
▸ CDK2 P24941 6/20 0.46
▸ CCNA1 P78396 6/20 0.46
▸ DYRK1A Q13627 5/20 0.46
▸ P2RX7 Q99572 1/20 0.44
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PDE8A O60658 2/20 0.39

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
SCHEMBL2848856 0.86 CCNA2 (0.41) ADORA2ACDK1CDK5CDK5R1CCNA2
SCHEMBL29426182 0.80 CDK2 (0.56) ADORA2ACDK1CDK5CDK5R1CCNA2
SCHEMBL539356 0.80 CDK2 (0.56) ADORA2ACDK1CDK5CDK5R1CCNA2
SCHEMBL27897027 0.77 CDK2 (0.44) CDK1CDK5CDK5R1CCNA2CDK2
SCHEMBL9080110 0.77 MEN1 (0.47) ADORA2ACDK1MEN1HPGDKMT2A
SCHEMBL10589023 0.75 MEN1 (0.51) ADORA2ACDK1MEN1HPGDKMT2A
SCHEMBL30331956 0.75 ADORA2A (0.50) ADORA2ACDK1CDK5CDK5R1CCNA2
SCHEMBL946328 0.75 ADORA2A (0.50) ADORA2ACDK1CDK5CDK5R1CCNA2
SCHEMBL25211412 0.73 P2RX7 (0.41) CDK1CDK5CDK5R1CCNA2CDK2
SCHEMBL6768493 0.73 CDK1 (0.37) ADORA2ACDK1CDK5CDK5R1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 — — US disclosed
EP-1456209-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2007-02-28 — — EP disclosed
EP-1456209-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-09-15 — — EP disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 — — US disclosed
WO-2003051882-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-06-26 — — WO disclosed
US-5583137-A Heterocyclic compounds for enhancing antitumor activity PFIZER INC. (US) 1996-12-10 — — US disclosed
EP-0626964-A1 HETEROCYCLIC COMPOUNDS FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1994-12-07 — — EP disclosed
WO-1993017021-A1 HETEROCYCLIC COMPOUNDS FOR ENHANCING ANTITUMOR ACTIVITY PFIZER, INC. (US) 1993-09-02 — — 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-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885CDK1 1472/4885MEN1 4864/4885

“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.

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