SCHEMBL5261350

SCHEMBL5261350

CC(C)Nc1ccc2c(/C=C(/C(=O)O)c3ccccc3)c[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
AKR1C1 Q04828 4/20 0.38
HCAR3 P49019 1/20 0.36
AKR1C2 P52895 3/20 0.34
AKR1C3 P42330 1/20 0.34
ADORA2A P29274 2/20 0.34
PTGS2 P35354 1/20 0.34
ADORA1 P30542 1/20 0.34
KMT2A Q03164 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
FGFR4 P22455 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE10A Q9Y233 2/20 0.32

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
SCHEMBL5261353 1.00 BRD4 (0.38) BRD4AKR1C1HCAR3AKR1C2AKR1C3
SCHEMBL5261091 0.91 BRD4 (0.37) BRD4HCAR3ADORA2AADORA1KMT2A
SCHEMBL5261088 0.91 BRD4 (0.37) BRD4HCAR3ADORA2AADORA1KMT2A
SCHEMBL5258647 0.87 AKR1C1 (0.40) AKR1C1HCAR3AKR1C2AKR1C3ADORA2A
SCHEMBL5258649 0.87 AKR1C1 (0.40) AKR1C1HCAR3AKR1C2AKR1C3ADORA2A
SCHEMBL5260968 0.85 ADORA2A (0.48) AKR1C1AKR1C2AKR1C3ADORA2APTGS2
SCHEMBL5260969 0.85 ADORA2A (0.48) AKR1C1AKR1C2AKR1C3ADORA2APTGS2
SCHEMBL5261678 0.84 ADORA2A (0.39) AKR1C1HCAR3AKR1C2AKR1C3ADORA2A
SCHEMBL5261682 0.84 ADORA2A (0.39) AKR1C1HCAR3AKR1C2AKR1C3ADORA2A
SCHEMBL5259462 0.84 KMT2A (0.47) AKR1C1HCAR3ADORA2AADORA1KMT2A

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 BRD4 136/4885AKR1C1 915/4885HCAR3 72/4885

“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.