SCHEMBL29919656

SCHEMBL29919656

Cc1cccnc1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.54
NPC1 O15118 8/20 0.54
KDM4E B2RXH2 4/20 0.54
HTT P42858 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.48
METAP1 P53582 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL68279 1.00 RAB9A (0.54) RAB9ANPC1KDM4EHTTATM
SCHEMBL27967000 0.84 RAB9A (0.49) RAB9ANPC1KDM4EATML3MBTL1
SCHEMBL15266282 0.84 METAP1 (0.56) RAB9AKDM4EGFERPOLBMETAP1
SCHEMBL19522245 0.83 RAB9A (0.61) RAB9ANPC1KDM4EHTTATM
SCHEMBL24666065 0.83 METAP1 (0.46) RAB9ANPC1KDM4EHTTATM
SCHEMBL550667 0.83 METAP1 (0.46) RAB9ANPC1KDM4ESMN1; SMN2NPSR1
SCHEMBL29476654 0.83 METAP1 (0.46) RAB9ANPC1HTTSMN1; SMN2KMT2A
SCHEMBL18803797 0.83 METAP1 (0.46) RAB9ANPC1POLBMETAP1
SCHEMBL5467365 0.83 RAB9A (0.50) RAB9ANPC1SMN1; SMN2NPSR1KMT2A
SCHEMBL30511949 0.83 RAB9A (0.50) RAB9ANPC1SMN1; SMN2NPSR1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250243196-A1 CITRON KINASE INHIBITORS THE CLEVELAND CLINIC FOUNDATION 2025-07-31 US disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
US-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 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-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT RORC, RORB, RORA RAB9A 1362/4885NPC1 3702/4885KDM4E 1023/4885
US-20250243196-A1 CITRON KINASE INHIBITORS CHEK2, CILK1, DCK RAB9A 2634/4885NPC1 2049/4885KDM4E 1706/4885

“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.