SCHEMBL5259913

SCHEMBL5259913

N#Cc1cc(C(=O)c2ccccc2-n2ccnc2)c2c(ccc3cccn32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ CYP3A4 P08684 7/20 0.39
▸ CYP2C19 P33261 7/20 0.39
▸ CYP2D6 P10635 6/20 0.39
▸ CYP1A2 P05177 6/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ CD38 P28907 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ MAPK1 P28482 4/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP19A1 P11511 2/20 0.32

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
SCHEMBL5261985 0.85 HTR2A (0.42) CYP3A4CYP2C19CYP2D6CYP1A2MAPK1
SCHEMBL5959225 0.80 GRM4 (0.40) ALDH1A1LMNAKMT2AMAPT
SCHEMBL5259835 0.79 POLB (0.35) CYP2C19CYP2D6CYP1A2CYP2C9GAA
SCHEMBL5310994 0.78 F2 (0.39) CYP2C9ALDH1A1CYP11B1CYP11B2TDP1
SCHEMBL5959264 0.77 CYP11B1 (0.42) GAAALDH1A1CYP11B1CYP11B2MAPT
SCHEMBL5308250 0.77 — —
SCHEMBL5258382 0.77 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2
SCHEMBL5259285 0.74 SLC6A4 (0.39) HCRTR1HCRTR2
SCHEMBL5257355 0.74 SLC22A12 (0.38) CYP2C9CYP11B1CYP11B2
SCHEMBL5959281 0.73 KMT2A (0.40) GAAMAPK1ALDH1A1LMNAMEN1

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 HCRTR1 1497/4885HCRTR2 3303/4885CYP3A4 2001/4885

“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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