SCHEMBL2979258

SCHEMBL2979258

CN(C)C1CCN(c2ccc(N)c(C(F)(F)F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.48
SOS1 Q07889 3/20 0.45
DPP4 P27487 2/20 0.43
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
MAP4K4 O95819 1/20 0.39
HSD11B1 P28845 1/20 0.39
MCHR1 Q99705 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
SCHEMBL2979254 1.00 NOTUM (0.48) NOTUMSOS1DPP4PDGFRBFGFR1
SCHEMBL2979892 1.00 NOTUM (0.48) NOTUMSOS1DPP4PDGFRBFGFR1
SCHEMBL1749590 0.85 NOTUM (0.51) NOTUMMCHR1
SCHEMBL13123141 0.85 NOTUM (0.49) NOTUMSOS1DPP4HSD11B1MCHR1
SCHEMBL29276828 0.84 KDR (0.43) PDGFRBFGFR1KDRMAP4K4MCHR1
SCHEMBL29276789 0.84 KDR (0.43) PDGFRBFGFR1KDRMAP4K4MCHR1
SCHEMBL29276792 0.84 KDR (0.43) PDGFRBFGFR1KDRMAP4K4MCHR1
SCHEMBL4263614 0.83 FPR1 (0.44) NOTUMSOS1PDGFRBFGFR1KDR
SCHEMBL4259168 0.83 FPR1 (0.44) NOTUMSOS1PDGFRBFGFR1KDR
SCHEMBL2832366 0.83 PDK2 (0.48) NOTUMDPP4

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-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 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 (4 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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 NOTUM 4510/4885SOS1 2959/4885DPP4 1616/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 NOTUM 4510/4885SOS1 2959/4885DPP4 1616/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NOTUM 4510/4885SOS1 2959/4885DPP4 1616/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NOTUM 4510/4885SOS1 2959/4885DPP4 1616/4885

“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.