SCHEMBL5260705

SCHEMBL5260705

O=C(Cc1ccccc1)Nc1cnc2[nH]cc(/C=C(\C(=O)O)c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NAMPT P43490 1/20 0.45
▸ ROCK2 O75116 4/20 0.43
▸ AURKA O14965 2/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ BTK Q06187 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NTRK1 P04629 3/20 0.41
▸ PRKD3 O94806 2/20 0.41
▸ MAP4K4 O95819 2/20 0.41

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
SCHEMBL5262252 1.00 KMT2A (0.46) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL5261937 0.93 DYRK1A (0.42) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL5261195 0.93 ROCK1 (0.44) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL5261944 0.93 DYRK1A (0.42) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL5261201 0.93 ROCK1 (0.44) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL5259592 0.92 KMT2A (0.44) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL5259595 0.92 KMT2A (0.44) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL5261694 0.92 BTK (0.40) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL5261697 0.92 BTK (0.40) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL5259796 0.92 KDM4E (0.45) KMT2AMEN1NPC1POLBRAB9A

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 KMT2A 1011/4885MEN1 3262/4885NPC1 1403/4885

“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.

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