SCHEMBL5259667

SCHEMBL5259667

O=C(O)C(=Cc1c[nH]c2nc(O)ccc12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 4/20 0.43
KMT2A Q03164 3/20 0.38
AKR1C2 P52895 3/20 0.36
AKR1C3 P42330 1/20 0.36
PTGS2 P35354 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHEK1 O14757 1/20 0.34
POLB P06746 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL5259664 1.00 AKR1C1 (0.43) AKR1C1KMT2AAKR1C2AKR1C3PTGS2
SCHEMBL5259029 0.90 MAP3K7 (0.34) AKR1C1KMT2ANPC1RAB9AMEN1
SCHEMBL5259034 0.90 MAP3K7 (0.34) AKR1C1KMT2ANPC1RAB9AMEN1
SCHEMBL5260857 0.87 ADORA2A (0.44) AKR1C1KMT2AAKR1C2AKR1C3PTGS2
SCHEMBL5260854 0.87 ADORA2A (0.44) AKR1C1KMT2AAKR1C2AKR1C3PTGS2
SCHEMBL5259378 0.86 ADORA2A (0.45) AKR1C1KMT2AAKR1C2AKR1C3PTGS2
SCHEMBL5260031 0.86 ADORA2A (0.45) AKR1C1KMT2AAKR1C2AKR1C3PTGS2
SCHEMBL5260028 0.86 ADORA2A (0.45) AKR1C1KMT2AAKR1C2AKR1C3PTGS2
SCHEMBL5259381 0.86 ADORA2A (0.45) AKR1C1KMT2AAKR1C2AKR1C3PTGS2
SCHEMBL5258647 0.84 AKR1C1 (0.40) AKR1C1KMT2AAKR1C2AKR1C3PTGS2

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 AKR1C1 915/4885KMT2A 1011/4885AKR1C2 930/4885

“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.