SCHEMBL1353743

SCHEMBL1353743

COc1c(C)cnc(Cn2ncc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 6/20 0.49
▸ CCND1 P24385 4/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ CDK1 P06493 3/20 0.49
▸ CCNB1 P14635 3/20 0.49
▸ CCNE1 P24864 2/20 0.49
▸ JAK2 O60674 4/20 0.48
▸ JAK3 P52333 4/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ CCND3 P30281 4/20 0.48
▸ CCND2 P30279 2/20 0.48
▸ STAT6 P42226 5/20 0.47
▸ PKMYT1 Q99640 1/20 0.47
▸ FGFR4 P22455 1/20 0.46
▸ CCNK O75909 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CDK6 Q00534 1/20 0.46

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
SCHEMBL1355309 0.75 STAT6 (0.57) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL3591521 0.75 CDK4 (0.41) CDK4CCND1CDK2CDK1JAK2
SCHEMBL1356168 0.74 STAT6 (0.57) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1355170 0.74 EIF2AK4 (0.61) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1355913 0.71 STAT6 (0.51) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL21846884 0.71 JAK3 (0.60) CDK4CCND1JAK2JAK3JAK1
SCHEMBL29388583 0.71 JAK3 (0.60) CDK4CCND1JAK2JAK3JAK1
SCHEMBL1355852 0.71 FGFR4 (0.63) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1356692 0.71 STAT6 (0.55) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL21846878 0.71 JAK3 (0.68) JAK2JAK3JAK1TYK2STAT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 — — US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 — — US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 — — EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 — — WO claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 — — US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 — — US disclosed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 — — EP disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 — — 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND1 160/4885CDK2 10/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND1 160/4885CDK2 10/4885

“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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