SCHEMBL12801997

SCHEMBL12801997

Cn1cc(Nc2ncc3cnn(Cc4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.49
▸ CCND3 P30281 2/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CCND2 P30279 1/20 0.46
▸ CCNK O75909 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ JAK2 O60674 6/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ SCD O00767 1/20 0.42
▸ SCD5 Q86SK9 1/20 0.42
▸ JAK1 P23458 3/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ ALK Q9UM73 3/20 0.42
▸ EGFR P00533 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ SYK P43405 1/20 0.41

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
SCHEMBL12802028 0.89 JAK3 (0.46) JAK3CCND3CDK4CCND1CCND2
SCHEMBL12802026 0.89 CCND3 (0.44) JAK3CCND3CDK4CCND1CCND2
SCHEMBL10204067 0.85 JAK3 (0.49) JAK3CCND3CDK4CCND1CCND2
SCHEMBL673118 0.84 JAK3 (0.43) JAK3CCND3CDK4CCND1CCND2
SCHEMBL672851 0.84 JAK3 (0.49) JAK3CCND3CDK4CCND1CCND2
SCHEMBL10205374 0.83 JAK3 (0.49) JAK3JAK2JAK1TYK2EGFR
SCHEMBL12801985 0.83 CCND3 (0.41) JAK3CCND3CDK4CCND1CCND2
SCHEMBL674332 0.83 JAK2 (0.48) JAK3CDK4CCNA2CDK2CDK9
SCHEMBL12802025 0.82 JAK3 (0.42) JAK3CCND3CDK4CCND1CCND2
SCHEMBL10203356 0.82 JAK3 (0.48) JAK3CDK4JAK2PTK2JAK1

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-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 — — US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 — — US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 — — 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 (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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885CCND3 299/4885CDK4 229/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885CCND3 351/4885CDK4 281/4885

“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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