SCHEMBL3675238

SCHEMBL3675238

Cc1cnc(N2C(=O)c3ccccc3C2=O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GRM1 Q13255 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
GRM5 P41594 1/20 0.41
HTT P42858 2/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL29344065 0.85 MEN1 (0.45) MEN1KMT2AGRM1SMN1; SMN2ALDH1A1
SCHEMBL29937253 0.85 MEN1 (0.45) MEN1KMT2AGRM1SMN1; SMN2ALDH1A1
SCHEMBL22029116 0.85 KMT2A (0.45) MEN1KMT2AGRM1SMN1; SMN2ALDH1A1
SCHEMBL1922080 0.77 SMN1; SMN2 (0.56) MEN1KMT2AGRM1SMN1; SMN2ALDH1A1
SCHEMBL501694 0.76 NPSR1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3641427 0.72 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL29344067 0.72 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL3635339 0.70 GRIN2D (0.60) SMN1; SMN2ALDH1A1NPC1MAPTHPGD
SCHEMBL11584879 0.70 NPC1 (0.68) MEN1KMT2AGRM1SMN1; SMN2ALDH1A1
SCHEMBL31118684 0.70 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 EP disclosed
EP-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 EP disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
US-8969386-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 US disclosed
US-8969386-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 US disclosed
US-8969386-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
EP-2789606-A1 Modulators of CFTR Vertex Pharmaceuticals Incorporated (US) 2014-10-15 EP disclosed
EP-2789606-A1 Modulators of CFTR Vertex Pharmaceuticals Incorporated (US) 2014-10-15 EP disclosed
EP-2164840-A2 MODULATORS OF CFTR Vertex Pharmaceuticals Incorporated (US) 2010-03-24 EP disclosed
WO-2008141119-A2 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-20 WO disclosed
WO-2008141119-A2 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-20 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 (2 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-20150166516-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 MEN1 4699/4885KMT2A 4596/4885GRM1 3942/4885
US-20150031708-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 MEN1 4699/4885KMT2A 4596/4885GRM1 3942/4885

“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.