SCHEMBL14680969

SCHEMBL14680969

CN1CCN(c2ncc(-c3cccc(Nc4ccc(C(F)(F)F)cn4)n3)o2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
CTSC P53634 6/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 2/20 0.41
CCND3 P30281 2/20 0.40
CDK6 Q00534 2/20 0.40
FYN P06241 1/20 0.40
KARS1 Q15046 2/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNK O75909 1/20 0.36
CDK9 P50750 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAP3K12 Q12852 1/20 0.36

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
SCHEMBL13825903 0.86 KCNH2 (0.43) KCNH2CCND3CDK6KARS1SMN1; SMN2
SCHEMBL2226024 0.85 USP2 (0.51) CTSCCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14673765 0.85 ABL1 (0.39) CTSCCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16519341 0.84 FLT3 (0.37) CCND3CDK6CCNKCDK9
SCHEMBL14673613 0.82 KARS1 (0.41) TRPV1KCNH2CCND3CDK6KARS1
SCHEMBL14673616 0.78 KARS1 (0.52) KARS1MAP3K12
SCHEMBL27899683 0.78 CCNK (0.43) CYP1A2CYP3A4CYP2D6CCND3CDK6
SCHEMBL2364512 0.78 WEE1 (0.42) FYN
SCHEMBL2224952 0.77 BPTF (0.41) KCNH2KARS1SMN1; SMN2MAP3K12
SCHEMBL14673902 0.77 JAK2 (0.52) CCND3CDK6KARS1SMN1; SMN2CCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962665-B2 Thiazole and oxazole kinase inhibitors AB SCIENCE (FR) 2015-02-24 US disclosed
US-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2013-02-07 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 (1 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-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SYK, LTK, MERTK TRPV1 3207/4885CTSC 1309/4885CYP1A2 3569/4885

“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.