SCHEMBL12801981

SCHEMBL12801981

CC1CN(c2cccc(Cn3ncc4cnc(Nc5cnn(C)c5)nc43)c2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.46
▸ TTK P33981 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ JAK2 O60674 7/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ JAK1 P23458 5/20 0.38
▸ TYK2 P29597 5/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ BTK Q06187 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
SCHEMBL12801909 0.91 JAK3 (0.44) JAK3JAK2STAT6JAK1TYK2
SCHEMBL12796127 0.90 JAK3 (0.46) JAK3CDK4CCND1CDK6SYK
SCHEMBL1662524 0.88 STAT6 (0.51) JAK3CDK4CCND1JAK2STAT6
SCHEMBL672851 0.85 JAK3 (0.49) JAK3CDK4CCND1JAK2STAT6
SCHEMBL10204067 0.85 JAK3 (0.49) JAK3CDK4CCND1JAK2STAT6
SCHEMBL672656 0.84 JAK3 (0.46) JAK3JAK2STAT6JAK1TYK2
SCHEMBL671882 0.83 JAK3 (0.50) JAK3TTKJAK2JAK1TYK2
SCHEMBL672966 0.83 JAK3 (0.48) JAK3CDK4CCND1JAK2STAT6
SCHEMBL10205374 0.82 JAK3 (0.49) JAK3JAK2STAT6JAK1TYK2
SCHEMBL15122452 0.82 JAK3 (0.44) JAK3JAK2STAT6JAK1TYK2

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 JAK3 2/4885TTK 844/4885CDK4 229/4885

“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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