SCHEMBL5263178

SCHEMBL5263178

COc1ccc(F)cc1-c1ccc(CC(=O)Nc2ccc3c(C=C(C(N)=O)c4ccccc4)c[nH]c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
WNT3A P56704 1/20 0.41
CDK9 P50750 2/20 0.41
NPY5R Q15761 1/20 0.40
MAP3K11 Q16584 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
LMNA P02545 1/20 0.38
MMEL1 Q495T6 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MET P08581 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 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
SCHEMBL5263175 1.00 AAK1 (0.43) AAK1WNT3ACDK9NPY5RMAP3K11
SCHEMBL5261675 0.90 KMT2A (0.37) AAK1WNT3ACDK9NPY5RKMT2A
SCHEMBL5261676 0.90 KMT2A (0.37) AAK1WNT3ACDK9NPY5RKMT2A
SCHEMBL5259627 0.89 CDK9 (0.38) AAK1WNT3ACDK9NPY5RMAP3K11
SCHEMBL5259622 0.89 CDK9 (0.38) AAK1WNT3ACDK9NPY5RMAP3K11
SCHEMBL5259071 0.84 KMT2A (0.46) WNT3ACDK9NPY5RKMT2AMEN1
SCHEMBL5259070 0.84 KMT2A (0.46) WNT3ACDK9NPY5RKMT2AMEN1
SCHEMBL5258453 0.84 KMT2A (0.39) WNT3ACDK9NPY5RKMT2AMEN1
SCHEMBL5258458 0.84 KMT2A (0.39) WNT3ACDK9NPY5RKMT2AMEN1
SCHEMBL5259908 0.83 ADORA2A (0.40) NPY5RKMT2AMEN1RAB9AALDH1A1

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 AAK1 2973/4885WNT3A 3778/4885CDK9 452/4885

“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.