SCHEMBL5259602

SCHEMBL5259602

O=C(O)/C(=C/c1c[nH]c2nc(Nc3ccc(Br)cc3)ccc12)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HDAC3 O15379 1/20 0.35
APP P05067 1/20 0.35
ACHE P22303 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MAPT P10636 3/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 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
SCHEMBL5259606 1.00 MEN1 (0.36) MEN1KMT2AHDAC3APPACHE
SCHEMBL5259984 0.92 AKR1C1 (0.39) MEN1KMT2AAKR1C1MAPTRAB9A
SCHEMBL5259979 0.92 AKR1C1 (0.39) MEN1KMT2AAKR1C1MAPTRAB9A
SCHEMBL5259825 0.92 MEN1 (0.34) MEN1KMT2AHDAC3APPACHE
SCHEMBL5259820 0.92 MEN1 (0.34) MEN1KMT2AHDAC3APPACHE
SCHEMBL5259270 0.89 KMT2A (0.43) MEN1KMT2AAKR1C1MAPTRAB9A
SCHEMBL5259275 0.89 KMT2A (0.43) MEN1KMT2AAKR1C1MAPTRAB9A
SCHEMBL5260562 0.88 IRAK4 (0.41) AKR1C1AURKAAURKB
SCHEMBL5258281 0.88 IRAK4 (0.41) AKR1C1AURKAAURKB
SCHEMBL5260121 0.86 MEN1 (0.41) MEN1KMT2AMAPTRAB9ASAE1

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 MEN1 3262/4885KMT2A 1011/4885HDAC3 100/4885

“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.