Sugi Predict

Sugi Predict / Compounds / SCHEMBL3823244

SCHEMBL3823244

SCHEMBL3823244

CCc1nc2ccc(C#N)cc2c(=O)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MMP13 P45452 1/20 0.38
▸ PARG Q86W56 1/20 0.38
▸ G6PD P11413 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 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
SCHEMBL5739962 0.85 HDAC6 (0.43) CACNA2D1CASP3HDAC6PDE10ATDP1
SCHEMBL3820085 0.78 USP2 (0.47) CACNA2D1CASP3HDAC6MEN1USP2
SCHEMBL15457139 0.78 KDM4E (0.50) HDAC6PDE10ATDP1KDM4EALOX15
SCHEMBL3825703 0.78 TRPV1 (0.50) CACNA2D1CASP3TDP1BRD4POLB
SCHEMBL1161308 0.77 TRPV1 (0.41) CASP3HDAC6PDE10ATDP1KDM4E
SCHEMBL13677298 0.77 GRM2 (0.47) CASP3KDM4ETSHRPOLBALDH1A1
SCHEMBL31542056 0.76 HDAC6 (0.53) HDAC6CYP3A4HDAC8
SCHEMBL3816964 0.76 CACNA2D1 (0.44) CACNA2D1CASP3TDP1BRD4POLB
SCHEMBL3821330 0.75 PARG (0.50) HDAC6TDP1KDM4EALOX15TSHR
SCHEMBL3818640 0.74 HDAC6 (0.66) HDAC6PDE10ATDP1KDM4EALOX15

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-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 — — US disclosed
US-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 — — US disclosed
US-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 — — US disclosed
EP-1646615-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2009-08-26 — — EP disclosed
EP-1646615-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-04-19 — — EP disclosed
US-20050059687-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-03-17 — — US disclosed
WO-2004111014-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-23 — — 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-20050059687-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCC2 CACNA2D1 3450/4885CASP3 4722/4885HDAC6 1395/4885

“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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