SCHEMBL17248050

SCHEMBL17248050

CC(C)Nc1ncc(C(=O)C(C)C)s1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.50
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ LCK P06239 2/20 0.41
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ FDPS P14324 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ PRNP P04156 1/20 0.38
▸ FFAR2 O15552 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL4253010 0.84 HCAR2 (0.52) MAPK14LCKRAB9ANPC1FDPS
SCHEMBL12715552 0.84 RAB9A (0.54) MAPK14CCNE1CDK2CDK5LCK
SCHEMBL19710761 0.83 MAPK14 (0.57) MAPK14CDK2LCKRAB9ANPC1
SCHEMBL12715554 0.74 ALDH1A1 (0.53) MAPK14LCKRAB9ANPC1SMN1; SMN2
SCHEMBL14213429 0.74 MAPK14 (0.61) MAPK14CCNE1CDK2CDK5LCK
SCHEMBL18997957 0.74 HCAR2 (0.62) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL12715605 0.73 MAPK14 (0.47) MAPK14CCNE1CDK2LCKSMN1; SMN2
SCHEMBL27395757 0.73 ALDH1A1 (0.38) MAPK14CCNE1CDK2CDK5RAB9A
SCHEMBL15087979 0.72 HCAR2 (0.50) MAPK14CCNE1CDK2CDK5LCK
SCHEMBL21481994 0.71 SMN1; SMN2 (0.74) MAPK14RAB9ANPC1SMN1; SMN2KDM4E

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-9783573-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-10 — — US disclosed
US-9783573-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-10 — — US disclosed
US-20150322111-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-11-12 — — 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 (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-20150322111-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 MAPK14 2211/4885CCNE1 863/4885CDK2 160/4885

“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.

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