SCHEMBL10199274

SCHEMBL10199274

CC(C)c1ccc2cnc(C(C)C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SCN4A P35499 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
TYR P14679 1/20 0.34
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
DHFR P00374 2/20 0.33
EIF4A3 P38919 2/20 0.33

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
SCHEMBL888951 0.87 NPC1 (0.41) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL10262492 0.83 LMNA (0.38) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL27873008 0.81 SMN1; SMN2 (0.46) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL22509970 0.81 NPC1 (0.44) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL10263347 0.81 CYP1A2 (0.48) ALDH1A1KDM4EKMT2AHSD17B10LMNA
SCHEMBL19954926 0.80 OGA (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL22803642 0.79 MEN1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL15221567 0.79 NR4A2 (0.43) TP53LMNAHTTTDP1
SCHEMBL12775197 0.79 MAPT (0.41) KDM4EMAPTKMT2APTGS1PDE10A
SCHEMBL888873 0.78 AAK1 (0.42) RAB9AMAPTAAK1

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 4 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
US-20230145003-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-11 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 (3 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 NPC1 1254/4885RAB9A 639/4885SCN4A 2283/4885
US-20230145003-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB NPC1 138/4885RAB9A 572/4885SCN4A 2013/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 NPC1 1541/4885RAB9A 2160/4885SCN4A 3338/4885

“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.