SCHEMBL1355371

SCHEMBL1355371

Cc1ccc(-n2ncc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c2cc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.50
CDK4 P11802 9/20 0.48
CCND3 P30281 7/20 0.48
CCND1 P24385 6/20 0.48
CCND2 P30279 6/20 0.48
NUAK1 O60285 1/20 0.48
MARK3 P27448 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
MARK4 Q96L34 1/20 0.48
NUAK2 Q9H093 1/20 0.48
MARK1 Q9P0L2 1/20 0.48
TTK P33981 1/20 0.47
CCNA2 P20248 3/20 0.47
CDK2 P24941 3/20 0.47
AURKA O14965 3/20 0.47
CDK1 P06493 2/20 0.47
CCNE2 O96020 2/20 0.47
CCNE1 P24864 2/20 0.47
CCNA1 P78396 2/20 0.47
CCNK O75909 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
SCHEMBL1355345 0.85 EGFR (0.51) EGFRCDK4CCND3CCND1CCND2
SCHEMBL3571516 0.80 EGFR (0.56) EGFRCDK4CCND3CCND1CCND2
SCHEMBL1355810 0.79 CDK4 (0.60) EGFRCDK4CCND3CCND1CCND2
SCHEMBL269204 0.78 EGFR (0.65) EGFRCCND3CCNA2CDK2CCNK
SCHEMBL264976 0.78 CDK4 (0.54) EGFRCDK4CCND3CCND1TTK
Hydrochloric Acid SCHEMBL264469 0.78 EGFR (0.64) EGFRCCND3CCNA2CDK2CCNK
SCHEMBL344015 0.77 CDK4 (0.66) EGFRCDK4CCND3CCND1CCND2
SCHEMBL3579094 0.77 CDK4 (0.50) EGFRCDK4CCND3CCND1CCND2
SCHEMBL1353948 0.76 CDK4 (0.48) EGFRCDK4CCND3CCND1CCND2
SCHEMBL1355286 0.75 CDK4 (0.59) EGFRCDK4CCND3CCND1CCND2

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
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
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 (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 101/4885CCND3 196/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B EGFR 1237/4885CDK4 102/4885CCND3 256/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EGFR 1291/4885CDK4 101/4885CCND3 196/4885

“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.