SCHEMBL5259378

SCHEMBL5259378

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.45
ADORA1 P30542 3/20 0.45
AKR1C1 Q04828 4/20 0.42
PLAU P00749 1/20 0.37
KMT2A Q03164 4/20 0.37
CA5A P35218 1/20 0.35
AKR1C2 P52895 3/20 0.35
AKR1C3 P42330 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL5259381 1.00 ADORA2A (0.45) ADORA2AADORA1AKR1C1PLAUKMT2A
SCHEMBL5261833 0.91 ADORA2A (0.44) ADORA2AADORA1AKR1C1PLAUKMT2A
SCHEMBL5261832 0.91 ADORA2A (0.44) ADORA2AADORA1AKR1C1PLAUKMT2A
SCHEMBL5260028 0.87 ADORA2A (0.45) ADORA2AADORA1AKR1C1KMT2AAKR1C2
SCHEMBL5260031 0.87 ADORA2A (0.45) ADORA2AADORA1AKR1C1KMT2AAKR1C2
SCHEMBL5260854 0.86 ADORA2A (0.44) ADORA2AADORA1AKR1C1KMT2AAKR1C2
SCHEMBL5260857 0.86 ADORA2A (0.44) ADORA2AADORA1AKR1C1KMT2AAKR1C2
SCHEMBL5259667 0.86 AKR1C1 (0.43) AKR1C1KMT2AAKR1C2AKR1C3PTGS2
SCHEMBL5259664 0.86 AKR1C1 (0.43) AKR1C1KMT2AAKR1C2AKR1C3PTGS2
SCHEMBL5257666 0.84 AKR1C1 (0.39) ADORA2AADORA1AKR1C1KMT2AAKR1C2

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 1105/4885ADORA1 1459/4885AKR1C1 915/4885

“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.