SCHEMBL30697139

SCHEMBL30697139

CC(C)(C)OC(=O)N1CCC(Nc2ncc(C(F)(F)F)c(O[C@H]3CCOC3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.44
IDH2 P48735 1/20 0.44
GPR119 Q8TDV5 1/20 0.41
ALK Q9UM73 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SYK P43405 1/20 0.41
HDAC4 P56524 1/20 0.41
PTK2 Q05397 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK3 P27361 3/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL31548557 0.89 MAPK3 (0.48) IDH1IDH2HDAC4PTK2MAPK3
SCHEMBL26918921 0.88 PTK2 (0.42) PTK2MAPK1MAPK3CDK1CCNB1
SCHEMBL26918911 0.88 PTK2 (0.42) PTK2MAPK1MAPK3CDK1CCNB1
SCHEMBL30697116 0.87 MERTK (0.44) GPR119ALKSYKCDK1CCNB1
SCHEMBL25531479 0.83 TRPV1 (0.46) IDH1HDAC4PTK2MAPK3
SCHEMBL30398019 0.83 TRPV1 (0.46) IDH1HDAC4PTK2MAPK3
SCHEMBL30496642 0.82 MERTK (0.41) GPR119ALDH1A1MAPK1CDK1CCNB1
SCHEMBL29821059 0.80 IDH1 (0.49) IDH1IDH2GPR119ALKALDH1A1
SCHEMBL22901094 0.80 IDH1 (0.49) IDH1IDH2GPR119ALKALDH1A1
SCHEMBL27213273 0.79 IDH1 (0.48) IDH1IDH2GPR119ALKALDH1A1

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-20250009745-A1 CDK INHIBITOR SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2025-01-09 US disclosed
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 EP 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-20250009745-A1 CDK INHIBITOR CDK9, CDKL1, CDK6 IDH1 683/4885IDH2 910/4885GPR119 2074/4885

“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.