SCHEMBL17430833

SCHEMBL17430833

CC(C)(C)Oc1cc(F)c(C(F)(F)F)cc1-c1ccnnc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.50
CYP2C9 P11712 2/20 0.39
SCN5A Q14524 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 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
SCHEMBL17432884 0.86 SCN9A (0.47) SCN9A
SCHEMBL319582 0.79 SCN9A (0.41) SCN9A
SCHEMBL321081 0.76 SCN9A (0.41) SCN9A
SCHEMBL16061015 0.75 SCN9A (0.56) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL16059098 0.71 SCN9A (0.50) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL16059887 0.71 SCN9A (0.51) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL1104997 0.67 SCN9A (0.48) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL29131925 0.65 HSD17B1 (0.48)
SCHEMBL10845640 0.65 PDE3B (0.44) SCN9A
SCHEMBL23326105 0.64 CFTR (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 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 (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-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 SCN9A 1460/4885CYP2C9 52/4885SCN5A 425/4885
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF CYP4X1, BRIX1, HAX1 SCN9A 1798/4885CYP2C9 48/4885SCN5A 1478/4885

“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.