SCHEMBL17088286

SCHEMBL17088286

Cc1nc(C#N)c(C#N)s1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL17481195 0.78
SCHEMBL14549180 0.78
SCHEMBL11564103 0.76
SCHEMBL3186513 0.74
SCHEMBL5156148 0.74
SCHEMBL2170970 0.74
SCHEMBL17547305 0.74
SCHEMBL9501596 0.71 MEN1 (0.34) KDM4ESMN1; SMN2GAA
SCHEMBL10968419 0.71
SCHEMBL5537146 0.71 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4

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-20170015671-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-01-19 US disclosed
US-20160031891-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2016-02-04 US disclosed
WO-2016019233-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-02-04 WO disclosed
US-9139954-B2 Aqueous coloring composition for textile printing, textile printing method, and fabric FUJIFILM CORPORATION (JP) 2015-09-22 US disclosed
US-9139954-B2 Aqueous coloring composition for textile printing, textile printing method, and fabric FUJIFILM CORPORATION (JP) 2015-09-22 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 (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-20160031891-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, SYK KDM4E 1694/4885ALDH1A1 4709/4885SMN1; SMN2 4440/4885
US-20170015671-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, SYK KDM4E 1694/4885ALDH1A1 4709/4885SMN1; SMN2 4440/4885

“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.