SCHEMBL16662495

SCHEMBL16662495

C=C(C)Nc1ncc(C(C)(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
CCNE1 P24864 11/20 0.37
CDK2 P24941 11/20 0.37
CCNE2 O96020 10/20 0.37
CCNB2 O95067 5/20 0.37
CDK1 P06493 5/20 0.37
CCNB1 P14635 5/20 0.37
CCNB3 Q8WWL7 5/20 0.37
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
CCND3 P30281 2/20 0.37
CCND2 P30279 1/20 0.37
FFAR2 O15552 3/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
RAB9A P51151 1/20 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
SCHEMBL179490 0.82 CCNE1 (0.52) CNR2CCNE1CDK2CCNE2CCNB2
SCHEMBL10183729 0.75 LMNA (0.42) CNR2CCNE1CDK2CCNE2CCNB2
SCHEMBL20877512 0.73 CA1 (0.47) CNR2CCNE1CDK2CCNE2CCNB2
SCHEMBL12851970 0.73 RAB9A (0.62) CNR2CCNE1CDK2CCNE2CCNB2
SCHEMBL19261385 0.73 CCND3 (0.43) CNR2CCNE1CDK2CCNE2CCNB2
SCHEMBL14012575 0.73 CNR2 (0.36) CNR2FFAR2PSEN1PSEN2APH1B
SCHEMBL18469870 0.73 CNR2 (0.36) CNR2CCND3FFAR2PSEN1PSEN2
SCHEMBL17244883 0.71 CDK2 (0.63) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL11915994 0.71 KDR (0.62) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL12754630 0.70 LIMK1 (0.37) CNR2CCNE1CDK2CCNE2FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-9775844-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-10-03 US disclosed
US-9359365-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-10-15 US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 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-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CNR2 1055/4885CCNE1 1333/4885CDK2 100/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CNR2 1055/4885CCNE1 1333/4885CDK2 100/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CNR2 1055/4885CCNE1 1333/4885CDK2 100/4885

“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.