SCHEMBL861624

SCHEMBL861624

CN(C)CCOc1ccc(Nc2ccn3ncc(C=O)c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCND2 P30279 1/20 0.45
CCND3 P30281 1/20 0.45
FYN P06241 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
WEE1 P30291 1/20 0.40
ERBB3 P21860 2/20 0.40
FGFR1 P11362 1/20 0.40
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
HSF1 Q00613 2/20 0.39
PLK1 P53350 1/20 0.39
PIM1 P11309 4/20 0.38
PIM2 Q9P1W9 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL851816 0.84 CDK4 (0.41) CDK4CCND1CCND2CCND3FYN
SCHEMBL12979155 0.84 CDK4 (0.41) CDK4CCND1CCND2CCND3FYN
SCHEMBL851817 0.84 CDK4 (0.41) CDK4CCND1CCND2CCND3FYN
SCHEMBL13023208 0.80 PIM1 (0.46) FYNPIM1RET
SCHEMBL860964 0.80 FYN (0.50) FYNCDK2PIM1SYK
SCHEMBL860486 0.77 FYN (0.42) FYNERBB3PIM1RETEGFR
SCHEMBL14679351 0.76 FYN (0.38) FYNPIM1RET
SCHEMBL860721 0.72 FLT3 (0.50) CDK4CCND1CCND2CCND3FYN
SCHEMBL30596906 0.70 LMNA (0.51) CDK4CCND1CCND2CCND3ERBB3
SCHEMBL26112509 0.70 LMNA (0.51) CDK4CCND1CCND2CCND3ERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
EP-2475652-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS Cylene Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
EP-2432473-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
WO-2011031979-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS INC. (US) 2011-03-17 WO disclosed
WO-2011031979-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS CYLENE PHARMACEUTICALS INC. (US) 2011-03-17 WO disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
WO-2010135581-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
WO-2010135581-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO 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-20110071115-A1 PHARMACEUTICALLY USEFUL HETEROCYCLE-SUBSTITUTED LACTAMS PIM2, PIM1, PIM3 CDK4 14/4885CCND1 447/4885CCND2 456/4885
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM1, PIM2, PIM3 CDK4 8/4885CCND1 405/4885CCND2 444/4885

“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.