SCHEMBL1355345

SCHEMBL1355345

CN1CCN(c2ccc(Nc3ncc4cnn(-c5cccc6[nH]ccc56)c4n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.51
CDK4 P11802 6/20 0.49
AURKA O14965 3/20 0.49
CCND1 P24385 3/20 0.49
CCND2 P30279 3/20 0.49
CCND3 P30281 3/20 0.49
TTK P33981 1/20 0.48
FGFR4 P22455 3/20 0.47
FGFR1 P11362 2/20 0.47
FGFR2 P21802 2/20 0.47
FGFR3 P22607 2/20 0.47
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47

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
SCHEMBL3571516 0.86 EGFR (0.56) EGFRCDK4AURKACCND1CCND2
SCHEMBL1355371 0.85 EGFR (0.50) EGFRCDK4AURKACCND1CCND2
SCHEMBL1355286 0.80 CDK4 (0.59) EGFRCDK4AURKACCND1CCND2
SCHEMBL344015 0.80 CDK4 (0.66) EGFRCDK4AURKACCND1CCND2
SCHEMBL1356005 0.79 CDK1 (0.43) AURKAFGFR4CDK1CCNB1
SCHEMBL29793817 0.78 EGFR (0.69) EGFRCCND3CCNA2CDK2
SCHEMBL270085 0.78 EGFR (0.69) EGFRCCND3CCNA2CDK2
SCHEMBL27766678 0.78 STAT6 (0.48) EGFRCDK4AURKACCND1CCND2
Hydrochloric Acid SCHEMBL264814 0.78 EGFR (0.68) EGFRCCND3CCNA2CDK2
SCHEMBL3588808 0.77 CDK4 (0.54) CDK4CCND1CCND2CCND3FGFR4

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 EGFR 1291/4885CDK4 101/4885AURKA 9/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B EGFR 1237/4885CDK4 102/4885AURKA 10/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EGFR 1291/4885CDK4 101/4885AURKA 9/4885

“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.