SCHEMBL3591521

SCHEMBL3591521

COc1c(C)cnc(CN2CCN(c3ccc(Nc4ncc5cnn(C6CCc7ccccc76)c5n4)cc3)CC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 6/20 0.41
▸ AURKA O14965 4/20 0.41
▸ BRD4 O60885 5/20 0.41
▸ CCND3 P30281 4/20 0.39
▸ CCNK O75909 2/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CDK6 Q00534 2/20 0.39
▸ FGFR4 P22455 2/20 0.38
▸ CCND1 P24385 2/20 0.38
▸ CCND2 P30279 2/20 0.38
▸ EGFR P00533 3/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ NUAK1 O60285 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ MARK2 Q7KZI7 1/20 0.37
▸ MARK4 Q96L34 1/20 0.37
▸ NUAK2 Q9H093 1/20 0.37
▸ MARK1 Q9P0L2 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
SCHEMBL3590043 0.81 CDK4 (0.57) CDK4AURKACCND3CCNKCCNA2
SCHEMBL3577564 0.81 CDK4 (0.57) CDK4AURKACCND3CCNKCCNA2
SCHEMBL3577561 0.81 CDK4 (0.57) CDK4AURKACCND3CCNKCCNA2
SCHEMBL3585957 0.80 CDK4 (0.51) CDK4AURKACCND3CCNA2CDK2
SCHEMBL3588421 0.79 CDK4 (0.46) CDK4AURKACCND3CCNA2CDK2
SCHEMBL3583817 0.78 CDK4 (0.52) CDK4AURKACCND3CCNKCCNA2
SCHEMBL3579088 0.78 CDK4 (0.52) CDK4AURKACCND3CCNKCCNA2
SCHEMBL3579086 0.78 CDK4 (0.52) CDK4AURKACCND3CCNKCCNA2
SCHEMBL3592565 0.78 CDK4 (0.55) CDK4CCND3CCNA2CDK2CDK6
SCHEMBL3586598 0.78 CDK4 (0.55) CDK4CCND3CCNA2CDK2CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108019-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-2008094575-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-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 — — 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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B CDK4 102/4885AURKA 10/4885BRD4 3456/4885

“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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