SCHEMBL12801985

SCHEMBL12801985

Cn1cc(Nc2ncc3cnn(Cc4c(F)ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4F)c3n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
EGFR P00533 1/20 0.41
CCNK O75909 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
JAK3 P52333 12/20 0.40
JAK2 O60674 5/20 0.40
JAK1 P23458 5/20 0.40
ALK Q9UM73 1/20 0.39
TYK2 P29597 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
SYK P43405 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL12802033 0.89 JAK3 (0.38) EGFRJAK3JAK2JAK1TYK2
SCHEMBL673118 0.88 JAK3 (0.43) CCND3CDK4CCND1CCND2EGFR
SCHEMBL12797339 0.83 PAK3 (0.41) CCND3CDK4CCND1CDK2CDK9
SCHEMBL10205326 0.83 STAT6 (0.41) CCND3CDK4CCND1CCND2JAK3
SCHEMBL12801997 0.83 JAK3 (0.49) CCND3CDK4CCND1CCND2EGFR
SCHEMBL12802026 0.82 CCND3 (0.44) CCND3CDK4CCND1CCND2EGFR
SCHEMBL12802025 0.80 JAK3 (0.42) CCND3CDK4CCND1CCND2EGFR
SCHEMBL12796414 0.80 JAK3 (0.46) JAK3JAK2JAK1ALKTYK2
SCHEMBL671506 0.79 CCNA2 (0.42) CCND3CDK4CCND1CCND2EGFR
SCHEMBL12801959 0.79 JAK3 (0.40) CCND3CDK4CCND1CCND2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 CCND3 299/4885CDK4 229/4885CCND1 496/4885

“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.