SCHEMBL21316709

SCHEMBL21316709

CCC(C)n1cnc2c(NCc3ccccc3)ncnc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 12/20 0.81
▸ CCNB2 O95067 8/20 0.81
▸ CCNB1 P14635 8/20 0.81
▸ CCNB3 Q8WWL7 8/20 0.81
▸ CDK2 P24941 3/20 0.81
▸ ADORA2A P29274 2/20 0.65
▸ ADORA1 P30542 2/20 0.65
▸ TMIGD3 P0DMS9 1/20 0.65
▸ RAB9A P51151 3/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ CDK7 P50613 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ MAPK8 P45983 1/20 0.58
▸ CSNK1A1 P48729 1/20 0.58
▸ CSNK1D P48730 1/20 0.58
▸ CCNH P51946 1/20 0.58
▸ MNAT1 P51948 1/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MAPT P10636 1/20 0.58

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
SCHEMBL30539284 0.90 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL754120 0.90 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL5196875 0.82 CDK1 (0.83) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL22571186 0.81 TMIGD3 (0.81) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL4382069 0.80 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL27965570 0.80 CDK1 (0.74) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL19661692 0.80 ADORA2A (0.64) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL19100489 0.80 CDK1 (0.61) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL29539043 0.80 CDK1 (0.61) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL27734468 0.79 TMIGD3 (1.00) CDK1CCNB2CCNB1CCNB3CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-09-03 — — 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-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG CDK1 199/4885CCNB2 1339/4885CCNB1 927/4885

“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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