SCHEMBL17092135

SCHEMBL17092135

Cc1ncc(C(=O)NCc2ccnc(C(F)(F)F)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
DDR1 Q08345 1/20 0.46
VNN1 O95497 1/20 0.46
GAA P10253 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.44
LOX P28300 1/20 0.43
PRKACA P17612 1/20 0.42
GRK5 P34947 1/20 0.42
PRKX P51817 1/20 0.42
PRKCQ Q04759 1/20 0.42
ROCK1 Q13464 1/20 0.42
MLYCD O95822 2/20 0.42
HPGDS O60760 2/20 0.42
HDAC1 Q13547 2/20 0.42
KDM1A O60341 1/20 0.42

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
SCHEMBL17091851 0.83 CDK2 (0.44) LMNACDK2GSK3BDDR1LOXL2
SCHEMBL17092299 0.82 ITK (0.46) HPGDSDGAT2
SCHEMBL30560001 0.80 SYK (0.55) LMNAHTTSMN1; SMN2CDK2GSK3B
SCHEMBL17117620 0.80 SYK (0.55) LMNAHTTSMN1; SMN2CDK2GSK3B
SCHEMBL17109780 0.78 PTGES (0.50) LMNAHTTSMN1; SMN2CDK2GSK3B
SCHEMBL17092324 0.78 GLS (0.52) HDAC1HDAC3HDAC2HDAC6
SCHEMBL31424999 0.77 LOXL2 (0.57) CDK2GSK3BVNN1LOXL2LOX
SCHEMBL25638990 0.77 LOXL2 (0.57) CDK2GSK3BVNN1LOXL2LOX
SCHEMBL17091853 0.77 LOXL2 (0.43) HTTVNN1LOXL2LOXMLYCD
SCHEMBL20428039 0.76 PTGES (0.55) LMNACDK2GSK3BLOXL2LOX

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-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC LMNA 2685/4885HTT 4596/4885SMN1; SMN2 3767/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC LMNA 2906/4885HTT 4137/4885SMN1; SMN2 3896/4885

“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.