SCHEMBL5261985

SCHEMBL5261985

N#Cc1cc(C(=O)c2ccc(-n3ccnc3)cc2)c2c(ccc3cccn32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ CYP3A4 P08684 2/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ADH5 P11766 4/20 0.39
▸ HTT P42858 1/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 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
SCHEMBL5315749 0.86 CYP3A4 (0.41) HTR2AHTR2CHTR2BCYP3A4BAZ2B
SCHEMBL5259913 0.85 HCRTR1 (0.43) CYP3A4MAPK1LMNACYP11B1CYP11B2
SCHEMBL5311360 0.84 MAPK14 (0.38) MAPK1CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL5258382 0.84 CYP19A1 (0.49) CYP11B1CYP11B2CYP19A1
SCHEMBL5259579 0.84 ADH5 (0.42) HTR2AHTR2CHTR2BCYP3A4BAZ2B
SCHEMBL5257355 0.82 SLC22A12 (0.38) PDE4APDE4CPDE4DCYP11B1CYP11B2
SCHEMBL5310994 0.82 F2 (0.39) CYP11B1CYP11B2ALDH1A1
SCHEMBL5313506 0.81 MAPK14 (0.42) MAPK1LMNAHTTCYP11B1CYP11B2
SCHEMBL5959281 0.81 KMT2A (0.40) MAPK1LMNAHTTCYP11B1CYP11B2
SCHEMBL5308588 0.81 MAPK14 (0.35) CYP11B1CYP11B2

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 HTR2A 2882/4885HTR2C 2899/4885HTR2B 3121/4885

“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.

Send feedback