SCHEMBL5263438

SCHEMBL5263438

O=C(Cc1cccnc1)Nc1ccc2c(C=C(C(=O)O)c3ccccc3)c[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
GLS O94925 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
PARP14 Q460N5 1/20 0.38
CHEK1 O14757 1/20 0.38
EPHX2 P34913 1/20 0.38
ROCK1 Q13464 1/20 0.38
ROCK2 O75116 1/20 0.37
ADORA2A P29274 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
MAPK8 P45983 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
DEGS1 O15121 1/20 0.36
LMNA P02545 1/20 0.36
CCKBR P32239 1/20 0.36

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
SCHEMBL5263436 1.00 MKNK1 (0.40) MKNK1GLSCYP1A2CYP3A4CYP2C9
SCHEMBL5260331 0.93 CYP1A2 (0.40) MKNK1GLSCYP1A2CYP3A4CYP2C9
SCHEMBL5260334 0.93 CYP1A2 (0.40) MKNK1GLSCYP1A2CYP3A4CYP2C9
SCHEMBL5261657 0.91 DEGS1 (0.41) GLSEPHX2ROCK1ROCK2ADORA2A
SCHEMBL5261663 0.91 DEGS1 (0.41) GLSEPHX2ROCK1ROCK2ADORA2A
SCHEMBL5262468 0.86 KMT2A (0.47)
SCHEMBL5262473 0.86 KMT2A (0.47)
SCHEMBL5261479 0.85 ROCK1 (0.41) GLSROCK1ROCK2ADORA2ADEGS1
SCHEMBL5261476 0.85 ROCK1 (0.41) GLSROCK1ROCK2ADORA2ADEGS1
SCHEMBL5260593 0.84 CACNA1G (0.46) GLSROCK2MAPK8HPGD

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 MKNK1 1896/4885GLS 3461/4885CYP1A2 1601/4885

“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.