Sugi Predict

Sugi Predict / Compounds / SCHEMBL1355862

SCHEMBL1355862

SCHEMBL1355862

c1ccc2c(c1)CC(n1ncc3cnc(Nc4ccc(N5CCOCC5)cc4)nc31)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 6/20 0.59
▸ AURKA O14965 3/20 0.59
▸ STAT6 P42226 6/20 0.55
▸ CCND3 P30281 4/20 0.54
▸ CCND1 P24385 3/20 0.54
▸ CCND2 P30279 3/20 0.54
▸ CCNA2 P20248 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ CCNB2 O95067 2/20 0.54
▸ CDK1 P06493 2/20 0.54
▸ CCNB1 P14635 2/20 0.54
▸ CCNB3 Q8WWL7 2/20 0.54
▸ CCNE2 O96020 1/20 0.54
▸ CCNE1 P24864 1/20 0.54
▸ CCNA1 P78396 1/20 0.54
▸ IGF1R P08069 2/20 0.53
▸ SYK P43405 1/20 0.51
▸ CDK6 Q00534 2/20 0.51
▸ CCNK O75909 1/20 0.51
▸ CDK9 P50750 1/20 0.51

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
SCHEMBL12639296 0.85 CDK4 (0.72) CDK4AURKACCND3CCND1CCND2
SCHEMBL1355413 0.85 CDK4 (0.72) CDK4AURKACCND3CCND1CCND2
SCHEMBL1355795 0.84 CDK4 (0.52) CDK4AURKASTAT6CCND3CCND1
SCHEMBL3583817 0.83 CDK4 (0.52) CDK4AURKASTAT6CCND3CCND1
SCHEMBL3579086 0.83 CDK4 (0.52) CDK4AURKASTAT6CCND3CCND1
SCHEMBL3579088 0.83 CDK4 (0.52) CDK4AURKASTAT6CCND3CCND1
SCHEMBL1355732 0.82 STAT6 (0.64) CDK4AURKASTAT6CCND3CCND1
SCHEMBL3587314 0.82 CDK4 (0.48) CDK4AURKASTAT6CCND3CCND1
SCHEMBL3584285 0.82 CDK4 (0.48) CDK4AURKASTAT6CCND3CCND1
SCHEMBL3582757 0.82 CDK4 (0.48) CDK4AURKASTAT6CCND3CCND1

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 6 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
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-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
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 (3 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 101/4885AURKA 9/4885STAT6 2214/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B CDK4 102/4885AURKA 10/4885STAT6 2276/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885AURKA 9/4885STAT6 2214/4885

“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.