SCHEMBL5259797

SCHEMBL5259797

O=C(Cc1cccc(Cl)c1)Nc1cnc2[nH]cc(C=C(C(=O)O)c3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ ROCK2 O75116 2/20 0.43
▸ NTRK1 P04629 5/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PRKD3 O94806 2/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ LCK P06239 2/20 0.43
▸ AXL P30530 2/20 0.43
▸ FLT4 P35916 2/20 0.43
▸ FLT3 P36888 2/20 0.43
▸ CLK2 P49760 2/20 0.43
▸ MAP4K2 Q12851 2/20 0.43
▸ CAMK2B Q13554 2/20 0.43
▸ CAMK2G Q13555 2/20 0.43
▸ CAMK2D Q13557 2/20 0.43
▸ PTK6 Q13882 2/20 0.43
▸ NTRK3 Q16288 2/20 0.43
▸ PKN2 Q16513 2/20 0.43
▸ MINK1 Q8N4C8 2/20 0.43

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
SCHEMBL5259796 1.00 KDM4E (0.45) KDM4EROCK2NTRK1MEN1KMT2A
SCHEMBL5257590 0.93 KDM4E (0.44) KDM4EROCK2NTRK1MEN1KMT2A
SCHEMBL5257594 0.93 KDM4E (0.44) KDM4EROCK2NTRK1MEN1KMT2A
SCHEMBL5260705 0.92 KMT2A (0.46) ROCK2NTRK1MEN1KMT2APRKD3
SCHEMBL5262252 0.92 KMT2A (0.46) ROCK2NTRK1MEN1KMT2APRKD3
SCHEMBL5261195 0.90 ROCK1 (0.44) ROCK2NTRK1MEN1KMT2APRKD3
SCHEMBL5261201 0.90 ROCK1 (0.44) ROCK2NTRK1MEN1KMT2APRKD3
SCHEMBL5261694 0.89 BTK (0.40) ROCK2NTRK1MEN1KMT2APRKD3
SCHEMBL5261697 0.89 BTK (0.40) ROCK2NTRK1MEN1KMT2APRKD3
SCHEMBL5261944 0.86 DYRK1A (0.42) ROCK2NTRK1MEN1KMT2AALDH1A1

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 KDM4E 450/4885ROCK2 1932/4885NTRK1 75/4885

“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.

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