SCHEMBL5959233

SCHEMBL5959233

Cc1cc2c(C#N)cc(C(=O)c3ccccc3)n2c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.42
▸ CDC25A P30304 2/20 0.42
▸ DUSP3 P51452 2/20 0.42
▸ FNTA P49354 5/20 0.40
▸ FNTB P49356 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ ELANE P08246 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ CTRB1 P17538 1/20 0.39
▸ STAT3 P40763 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 1/20 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
SCHEMBL5259688 0.79 PTPN1 (0.44) PTPN1CDC25ADUSP3FNTAFNTB
SCHEMBL5311850 0.78 PTPN1 (0.43) PTPN1CDC25ADUSP3FNTAFNTB
SCHEMBL5310989 0.78 PTPN1 (0.44) PTPN1CDC25ADUSP3FNTAFNTB
SCHEMBL5959188 0.77 PTPN1 (0.40) PTPN1CDC25ADUSP3FNTAFNTB
SCHEMBL5959296 0.77 MEN1 (0.42) PTPN1CDC25ADUSP3FNTAFNTB
SCHEMBL5311428 0.77 FNTA (0.43) PTPN1CDC25ADUSP3FNTAFNTB
SCHEMBL31338812 0.75 FNTA (0.54) FNTAFNTBALDH1A1ELANEKDM4E
SCHEMBL5259114 0.75 PTPN1 (0.41) PTPN1CDC25ADUSP3FNTAFNTB
SCHEMBL5959209 0.74 MAPK1 (0.44) PTPN1CDC25ADUSP3FNTAFNTB
SCHEMBL5259049 0.73 FNTA (0.62) PTPN1CDC25ADUSP3FNTAFNTB

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 PTPN1 578/4885CDC25A 31/4885DUSP3 3852/4885

“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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