SCHEMBL5315449

SCHEMBL5315449

N#Cc1cc(C(=O)c2ccc(N3CCN(c4ccccn4)CC3)cc2)c2c(ccc3cccn32)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CHEK2 O96017 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ CETP P11597 1/20 0.37
▸ AVPR1A P37288 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SLC6A7 Q99884 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL5959204 0.86 NPC1 (0.41) MEN1POLBKMT2AALDH1A1NPC1
SCHEMBL5260718 0.86 NPC1 (0.41) POLBNPC1RAB9A
SCHEMBL5257913 0.85 ALDH1A1 (0.46) POLBALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL5310994 0.80 F2 (0.39) ALDH1A1KDM4E
SCHEMBL5311360 0.80 MAPK14 (0.38) SYKALDH1A1KDM4EMAPK1
SCHEMBL5959225 0.79 GRM4 (0.40) KMT2AALDH1A1RAB9AKDM4EL3MBTL1
SCHEMBL5261985 0.78 HTR2A (0.42) ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL5257355 0.78 SLC22A12 (0.38) KDM4E
SCHEMBL5308588 0.77 MAPK14 (0.35) MEN1KMT2ANPC1RAB9A
SCHEMBL5313506 0.77 MAPK14 (0.42) MEN1KMT2AALDH1A1MAPK1HTT

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
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US claimed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 — — US claimed
EP-1578424-A4 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A| QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2007-08-08 — — EP disclosed
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US disclosed
EP-1578424-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO 1,2-A] QUINOLINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2005-09-28 — — EP disclosed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 — — US disclosed
WO-2004055163-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO[1,2-A]QUINOLINES CYTOVIA, INC. (US) 2004-07-01 — — WO 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-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CASP3, CASP7, CASP1 MEN1 2503/4885POLB 2261/4885KMT2A 1411/4885

“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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