SCHEMBL23775718

SCHEMBL23775718

CC(C)c1cnc2ccc(C(C)C)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 5/20 0.34
FGFR2 P21802 4/20 0.34
FGFR4 P22455 4/20 0.34
FGFR1 P11362 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SCN4A P35499 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 1/20 0.33
KDR P35968 2/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
TP53 P04637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 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
SCHEMBL10199295 0.85 NPC1 (0.41) FGFR3FGFR2FGFR4FGFR1SMN1; SMN2
SCHEMBL17132546 0.81 CYP1A2 (0.44) FGFR3FGFR2FGFR4FGFR1SMN1; SMN2
SCHEMBL17132658 0.80 IRAK4 (0.34) FGFR3FGFR2FGFR4FGFR1SMN1; SMN2
SCHEMBL13677497 0.78 NPC1 (0.41) SMN1; SMN2NPC1RAB9ASCN4AHRH4
SCHEMBL19545869 0.77 FGFR1 (0.31) FGFR3FGFR2FGFR4FGFR1KDR
SCHEMBL17132591 0.75 MAP4K4 (0.38) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL13677496 0.75 NOS3 (0.34) SMN1; SMN2NPC1RAB9ASCN4APDE2A
SCHEMBL10199294 0.75 NPC1 (0.41) SMN1; SMN2NPC1RAB9ASCN4ATP53
SCHEMBL10199417 0.75 NPC1 (0.44) SMN1; SMN2NPC1RAB9ASCN4APDE10A
SCHEMBL2609301 0.74 NQO2 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING SHIONOGI & CO., LTD. (JP) 2024-07-04 US disclosed
WO-2021160132-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2021-08-19 WO 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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING GLP1R, GIPR, GCGR FGFR3 167/4885FGFR2 546/4885FGFR4 542/4885

“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.