SCHEMBL5313966

SCHEMBL5313966

CS(=O)(=O)c1ccc(C(=O)c2cc(C#N)c3ccc4ccccc4n23)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ CDC25A P30304 1/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ RORC P51449 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ GAA P10253 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
SCHEMBL5959209 0.86 MAPK1 (0.44) MAPK1PTPN1CDC25ADUSP3GAA
SCHEMBL5310989 0.86 PTPN1 (0.44) MAPK1PTPN1CDC25ADUSP3
SCHEMBL5257352 0.85 PTPN1 (0.40) MAPK1PTPN1CDC25ADUSP3
SCHEMBL5959278 0.84 KMT2A (0.46) MAPK1PTPN1CDC25ADUSP3GAA
SCHEMBL5959251 0.84 FNTA (0.44) MAPK1PTPN1CDC25ADUSP3
SCHEMBL5313502 0.84 LMNA (0.41) MAPK1PTPN1CDC25ADUSP3GAA
SCHEMBL5308585 0.84 MAPK1 (0.39) MAPK1PTPN1CDC25ADUSP3GAA
SCHEMBL5312235 0.83 NPC1 (0.42) MAPK1PTPN1CDC25ADUSP3
SCHEMBL5959226 0.83 THRB (0.43) MAPK1PTPN1CDC25ADUSP3GAA
SCHEMBL5256707 0.83 ALDH1A1 (0.45) MAPK1PTPN1CDC25ADUSP3GAA

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 MAPK1 522/4885PTPN1 578/4885CDC25A 31/4885

“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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