SCHEMBL5260028

SCHEMBL5260028

O=C(O)/C(=C/c1c[nH]c2nc(Cl)ccc12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
AKR1C1 Q04828 4/20 0.42
PIM1 P11309 1/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTOR P42345 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1C2 P52895 3/20 0.35

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
SCHEMBL5260031 1.00 ADORA2A (0.45) ADORA2AAKR1C1PIM1KMT2ALMNA
SCHEMBL5258298 0.90 ADORA2A (0.43) ADORA2APIM1KMT2ALMNACYP1A2
SCHEMBL5258296 0.90 ADORA2A (0.43) ADORA2APIM1KMT2ALMNACYP1A2
SCHEMBL5259381 0.87 ADORA2A (0.45) ADORA2AAKR1C1KMT2AMEN1KDM4E
SCHEMBL5259378 0.87 ADORA2A (0.45) ADORA2AAKR1C1KMT2AMEN1KDM4E
SCHEMBL5260854 0.86 ADORA2A (0.44) ADORA2AAKR1C1KMT2AMEN1ADORA1
SCHEMBL5259667 0.86 AKR1C1 (0.43) AKR1C1KMT2AMEN1AKR1C2AKR1C3
SCHEMBL5259664 0.86 AKR1C1 (0.43) AKR1C1KMT2AMEN1AKR1C2AKR1C3
SCHEMBL5260857 0.86 ADORA2A (0.44) ADORA2AAKR1C1KMT2AMEN1ADORA1
SCHEMBL5258647 0.82 AKR1C1 (0.40) ADORA2AAKR1C1KMT2AMEN1AKR1C2

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 915/4885PIM1 2854/4885

“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.