SCHEMBL5259677

SCHEMBL5259677

NC(=O)/C(=C/c1c[nH]c2nc(Br)ccc12)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.42
CDK2 P24941 2/20 0.36
CDK5 Q00535 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
KMT2A Q03164 3/20 0.33
CHEK1 O14757 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ADORA1 P30542 2/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
MAPK13 O15264 1/20 0.33
PDPK1 O15530 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
SCHEMBL5259680 1.00 ADORA2A (0.42) ADORA2ACDK2CDK5CCNT1CCNA2
SCHEMBL5260857 0.90 ADORA2A (0.44) ADORA2ACDK2CDK5CCNT1CCNA2
SCHEMBL5260854 0.90 ADORA2A (0.44) ADORA2ACDK2CDK5CCNT1CCNA2
SCHEMBL5259029 0.88 MAP3K7 (0.34) ADORA2ACDK2CDK5MAP3K7TAB1
SCHEMBL5261832 0.88 ADORA2A (0.44) ADORA2ACDK2CDK5MAP3K7TAB1
SCHEMBL5259034 0.88 MAP3K7 (0.34) ADORA2ACDK2CDK5MAP3K7TAB1
SCHEMBL5261833 0.88 ADORA2A (0.44) ADORA2ACDK2CDK5MAP3K7TAB1
SCHEMBL5258298 0.86 ADORA2A (0.43) ADORA2ACDK2CDK5MAP3K7TAB1
SCHEMBL5258296 0.86 ADORA2A (0.43) ADORA2ACDK2CDK5MAP3K7TAB1
SCHEMBL5264205 0.84 PDE10A (0.37) ADORA2ACDK2CDK5CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309590-B1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-09-19 EP claimed
US-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN (IT) 2003-01-02 US claimed
US-6335342-B1 1H-PYRROLO(2,3-B)PYRIDINE DERIVATIVES; ANTICARCINOGENIC, ANTIMETASTASIS, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-01-01 US claimed
EP-1309590-B1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-09-19 EP disclosed
US-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN (IT) 2003-01-02 US disclosed
US-6486322-B1 Azaindole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2002-11-26 US disclosed
US-6335342-B1 1H-PYRROLO(2,3-B)PYRIDINE DERIVATIVES; ANTICARCINOGENIC, ANTIMETASTASIS, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-01-01 US 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-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS FFAR4, AZI2, CNKSR1 ADORA2A 1105/4885CDK2 316/4885CDK5 487/4885

“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.