SCHEMBL5259574

SCHEMBL5259574

N#Cc1cc(C(=O)c2ccc(-n3ccnc3)cc2)n2c1ccc1c(Cl)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ ADH5 P11766 4/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37

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 0.85 CYP11B1 (0.43) HTR2AHTR2CHTR2BADH5CYP3A4
SCHEMBL5311850 0.82 PTPN1 (0.43) NOTUM
SCHEMBL5259057 0.81 KDM4E (0.38) LMNAMAPTKDM4EHTTMEN1
SCHEMBL5315747 0.79 CYP3A4 (0.43) HTR2AHTR2CHTR2BADH5CYP3A4
SCHEMBL18333468 0.74 PTPN1 (0.34) MAPK1ALDH1A1TDP1MAPTKDM4E
SCHEMBL5258377 0.71 CYP19A1 (0.54) —
SCHEMBL5259688 0.70 PTPN1 (0.44) —
SCHEMBL5259907 0.69 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5311356 0.68 NPSR1 (0.38) MAPK1ALDH1A1MAPTKDM4ENOTUM
SCHEMBL5959251 0.68 FNTA (0.44) MAPK1ALDH1A1TDP1MAPTMEN1

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.

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