SCHEMBL851816

SCHEMBL851816

CN(C)CCOc1ccc(Nc2ccn3ncc(/C=C4/NC(=O)NC4=O)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
WEE1 P30291 2/20 0.39
PIM1 P11309 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
FGFR1 P11362 1/20 0.36
SYK P43405 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
FYN P06241 1/20 0.36
CCNE1 P24864 2/20 0.35

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
SCHEMBL12979155 1.00 CDK4 (0.41) CDK4CCND1CCND2CCND3WEE1
SCHEMBL851817 1.00 CDK4 (0.41) CDK4CCND1CCND2CCND3WEE1
SCHEMBL861624 0.84 CDK4 (0.45) CDK4CCND1CCND2CCND3WEE1
SCHEMBL13020866 0.83 FYN (0.43) PIM1MEN1KMT2ASAE1UBA2
SCHEMBL860934 0.83 FYN (0.43) PIM1MEN1KMT2ASAE1UBA2
SCHEMBL860933 0.83 FYN (0.43) PIM1MEN1KMT2ASAE1UBA2
SCHEMBL860452 0.81 GSK3B (0.42) PIM1KDM4EALDH1A1MAPTPKM
SCHEMBL860453 0.81 GSK3B (0.42) PIM1KDM4EALDH1A1MAPTPKM
SCHEMBL12979564 0.81 GSK3B (0.42) PIM1KDM4EALDH1A1MAPTPKM
SCHEMBL12979069 0.77 FLT3 (0.45) CDK4CCND1CCND2CCND3WEE1

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 4 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
EP-2432473-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-03-28 EP 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

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-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.