SCHEMBL5259907

SCHEMBL5259907

N#Cc1cc(C(=O)c2ccccc2-n2ccnc2)n2c1ccc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ IDO1 P14902 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP11B1 P15538 3/20 0.35
▸ CYP11B2 P19099 3/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ CCR3 P51677 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL5261980 0.84 CYP11B1 (0.43) CYP3A4CYP11B1CYP11B2CYP19A1LMNA
SCHEMBL5260771 0.78 ALDH1A1 (0.43) CYP2C19CYP1A2CYP2C9KMT2AMEN1
SCHEMBL5259831 0.77 MAPK1 (0.47) CYP3A4CYP2C19CYP1A2CYP2C9GAA
SCHEMBL5959223 0.76 ALDH1A1 (0.46) GAAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5258377 0.76 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1
SCHEMBL5959260 0.75 MAP2K1 (0.42) CYP3A4CYP2D6CYP1A2IDO1KMT2A
SCHEMBL5308246 0.75 MAPK1 (0.37) GAAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5310989 0.74 PTPN1 (0.44) KDM4EALDH1A1LMNAMAPK1
SCHEMBL5339481 0.73 MAPK1 (0.38) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL5315747 0.73 CYP3A4 (0.43) CYP3A4KMT2ACYP19A1LMNAHTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US claimed
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 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
WO-2004055163-A2 SUBSTITUTED 1-BENZOYL-3-CYANO-PYRROLO[1,2-A]QUINOLINES CYTOVIA, INC. (US) 2004-07-01 — — WO 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 CYP3A4 2001/4885CYP2D6 2273/4885CYP2C19 3120/4885

“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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