SCHEMBL3584928

SCHEMBL3584928

O=C(O)CCCCN1CCN(c2ccc(Nc3ncc4cnn(C5CCc6ccccc65)c4n3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.45
▸ STAT6 P42226 2/20 0.44
▸ CDK4 P11802 6/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CCND1 P24385 4/20 0.42
▸ CCND2 P30279 4/20 0.42
▸ CCND3 P30281 4/20 0.42
▸ AURKA O14965 1/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ EGFR P00533 4/20 0.41
▸ SYK P43405 1/20 0.41
▸ FGFR4 P22455 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ MET P08581 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 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
SCHEMBL3582478 0.98 STAT6 (0.45) DRD2STAT6CDK4CCND1CCND2
SCHEMBL3588421 0.90 CDK4 (0.46) STAT6CDK4CCND1CCND2CCND3
SCHEMBL3585957 0.88 CDK4 (0.51) STAT6CDK4CCND1CCND2CCND3
SCHEMBL3577564 0.84 CDK4 (0.57) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3577561 0.84 CDK4 (0.57) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3590043 0.84 CDK4 (0.57) CDK4CCND1CCND2CCND3AURKA
SCHEMBL3579086 0.81 CDK4 (0.52) STAT6CDK4CCND1CCND2CCND3
SCHEMBL3579088 0.81 CDK4 (0.52) STAT6CDK4CCND1CCND2CCND3
SCHEMBL3583817 0.81 CDK4 (0.52) STAT6CDK4CCND1CCND2CCND3
SCHEMBL3592565 0.80 CDK4 (0.55) STAT6CDK4CCND1CCND2CCND3

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-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 — — US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 — — US disclosed
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 disclosed
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 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 DRD2 4665/4885STAT6 2276/4885CDK4 102/4885

“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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