SCHEMBL17092385

SCHEMBL17092385

Cc1ncc(C(=O)NCc2cc(C)n(C)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
ALOX15 P16050 1/20 0.53
ROCK2 O75116 1/20 0.53
HTT P42858 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP3A4 P08684 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SLC5A7 Q9GZV3 1/20 0.45
POLB P06746 2/20 0.44
KMT2A Q03164 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
SCHEMBL2755869 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAALOX15HTT
SCHEMBL13870640 0.75 HTT (0.61) ALDH1A1SMN1; SMN2LMNAALOX15HTT
SCHEMBL17029122 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAALOX15ROCK2
SCHEMBL2631530 0.74 HTT (0.53) ALDH1A1SMN1; SMN2LMNAALOX15HTT
SCHEMBL1587967 0.73 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAALOX15ROCK2
SCHEMBL4905769 0.71 HTT (0.57) ALDH1A1SMN1; SMN2LMNAALOX15HTT
SCHEMBL13060078 0.71 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2LMNAALOX15ROCK2
SCHEMBL1587633 0.71 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAALOX15ROCK2
SCHEMBL17092054 0.71 HPGDS (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDTSHR
SCHEMBL12529458 0.70 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAALOX15ROCK2

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 ALDH1A1 1877/4885SMN1; SMN2 3767/4885LMNA 2685/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC ALDH1A1 1669/4885SMN1; SMN2 3896/4885LMNA 2906/4885

“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.