SCHEMBL5263036

SCHEMBL5263036

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
AKR1C1 Q04828 4/20 0.37
PDE10A Q9Y233 2/20 0.36
FGFR4 P22455 4/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
AKR1C2 P52895 3/20 0.34
AKR1C3 P42330 1/20 0.34
GCK P35557 1/20 0.33
PTGS2 P35354 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL5263038 1.00 ADORA2A (0.38) ADORA2AAKR1C1PDE10AFGFR4KMT2A
SCHEMBL5259332 0.91 ADORA2A (0.37) ADORA2APDE10AFGFR4KMT2AMEN1
SCHEMBL5259337 0.91 ADORA2A (0.37) ADORA2APDE10AFGFR4KMT2AMEN1
SCHEMBL5260242 0.89 KMT2A (0.44) ADORA2AAKR1C1PDE10AKMT2AMEN1
SCHEMBL5263630 0.89 KMT2A (0.44) ADORA2AAKR1C1PDE10AKMT2AMEN1
SCHEMBL5260968 0.89 ADORA2A (0.48) ADORA2AAKR1C1PDE10AFGFR4AKR1C2
SCHEMBL5260969 0.89 ADORA2A (0.48) ADORA2AAKR1C1PDE10AFGFR4AKR1C2
SCHEMBL5258649 0.89 AKR1C1 (0.40) ADORA2AAKR1C1PDE10AFGFR4KMT2A
SCHEMBL5258647 0.89 AKR1C1 (0.40) ADORA2AAKR1C1PDE10AFGFR4KMT2A
SCHEMBL5259462 0.87 KMT2A (0.47) ADORA2AAKR1C1PDE10AKMT2AMEN1

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 1105/4885AKR1C1 915/4885PDE10A 4552/4885

“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.