SCHEMBL10997645

SCHEMBL10997645

Cc1ncc(C)c(-c2ccc(=O)[nH]c2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.39
▸ MAP4K4 O95819 1/20 0.37
▸ ATR Q13535 2/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ USP7 Q93009 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ PDK1 Q15118 2/20 0.34
▸ ADORA2B P29275 1/20 0.33

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
SCHEMBL13561326 0.82 MEN1 (0.40) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL23346571 0.78 PDGFRB (0.50) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL19594715 0.74 MEN1 (0.43) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL11001194 0.74 PDGFRB (0.42) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL11004283 0.74 AURKB (0.49) MAPTKDM4EALDH1A1THRBMEN1
SCHEMBL25560227 0.73 PDK1 (0.46) MAPTKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL10999876 0.72 KDM4E (0.48) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL10997600 0.72 MEN1 (0.41) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL11004147 0.71 ALDH1A1 (0.41) MAPTKDM4EALDH1A1THRBL3MBTL1
SCHEMBL16805987 0.70 NPC1 (0.45) MAPTALDH1A1L3MBTL1MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 — — US disclosed
US-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2017-04-20 — — US disclosed
US-9504683-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-29 — — US disclosed
US-20150265612-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2015-09-24 — — US disclosed
US-9079916-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-14 — — US disclosed
US-8796312-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-05 — — US disclosed
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 — — US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 — — US disclosed
US-4514400-A Cardiotonic 5-heteroaryl-pyridone WILLIAM H. RORER, INC. (US) 1985-04-30 — — 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 (3 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-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 MAPT 4518/4885KDM4E 4395/4885ALDH1A1 2397/4885
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 MAPT 4695/4885KDM4E 4517/4885ALDH1A1 2244/4885
US-20150265612-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 MAPT 4518/4885KDM4E 4395/4885ALDH1A1 2397/4885

“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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