SCHEMBL5959209

SCHEMBL5959209

Cc1ccc(C(=O)c2cc(C#N)c3ccc4ccccc4n23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.44
▸ TP53 P04637 1/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ CDC25A P30304 2/20 0.40
▸ DUSP3 P51452 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38

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
SCHEMBL5310989 0.90 PTPN1 (0.44) MAPK1PTPN1CDC25ADUSP3MAPT
SCHEMBL5257352 0.89 PTPN1 (0.40) MAPK1PTPN1CDC25ADUSP3
SCHEMBL5308585 0.88 MAPK1 (0.39) MAPK1PTPN1CDC25ADUSP3MAPT
SCHEMBL5313502 0.88 LMNA (0.41) MAPK1TP53PTPN1CDC25ADUSP3
SCHEMBL5959278 0.88 KMT2A (0.46) MAPK1TP53PTPN1CDC25ADUSP3
SCHEMBL5959251 0.88 FNTA (0.44) MAPK1PTPN1CDC25ADUSP3MAPT
SCHEMBL5959296 0.88 MEN1 (0.42) MAPK1PTPN1CDC25ADUSP3MAPT
SCHEMBL5311428 0.88 FNTA (0.43) MAPK1PTPN1CDC25ADUSP3MAPT
SCHEMBL5959226 0.87 THRB (0.43) MAPK1PTPN1CDC25ADUSP3MAPT
SCHEMBL5312235 0.87 NPC1 (0.42) MAPK1PTPN1CDC25ADUSP3ALDH1A1

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 4 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
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US 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

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 522/4885TP53 53/4885PTPN1 578/4885

“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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