SCHEMBL5258281

SCHEMBL5258281

NC(=O)c1ccc(Nc2ccc3c(C=C(C(=O)O)c4ccccc4)c[nH]c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.41
CDC7 O00311 2/20 0.41
ROCK2 O75116 2/20 0.41
PIM1 P11309 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MAP4K4 O95819 1/20 0.41
PRKACA P17612 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
ROCK1 Q13464 2/20 0.40
MAPK8 P45983 2/20 0.37
MAPK10 P53779 1/20 0.37
AURKA O14965 6/20 0.37
AURKB Q96GD4 4/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 2/20 0.36
KDM1A O60341 1/20 0.35
AKR1C1 Q04828 1/20 0.35
TTBK1 Q5TCY1 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
SCHEMBL5260562 1.00 IRAK4 (0.41) IRAK4CDC7ROCK2PIM1CDK2
SCHEMBL5262228 0.94 IRAK4 (0.41) IRAK4CDC7ROCK2PIM1CDK2
SCHEMBL5262230 0.94 IRAK4 (0.41) IRAK4CDC7ROCK2PIM1CDK2
SCHEMBL5259979 0.91 AKR1C1 (0.39) AURKAAURKBAKR1C1MAPK1ALDH1A1
SCHEMBL5259984 0.91 AKR1C1 (0.39) AURKAAURKBAKR1C1MAPK1ALDH1A1
SCHEMBL5259606 0.88 MEN1 (0.36) AURKAAURKBAKR1C1
SCHEMBL5259602 0.88 MEN1 (0.36) AURKAAURKBAKR1C1
SCHEMBL5263872 0.87 HCAR3 (0.36) IRAK4CDC7ROCK2PIM1CDK2
SCHEMBL5263868 0.87 HCAR3 (0.36) IRAK4CDC7ROCK2PIM1CDK2
SCHEMBL5261713 0.87 CA2 (0.44) CDK2ROCK1CDK1

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 IRAK4 377/4885CDC7 682/4885ROCK2 1932/4885

“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.