SCHEMBL1355866

SCHEMBL1355866

COc1ccc(Nc2ncc3cnn(-c4ccccc4-c4ccccc4)c3n2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
CCND2 P30279 2/20 0.47
CCND3 P30281 2/20 0.47
PTK2 Q05397 9/20 0.47
PLK1 P53350 4/20 0.47
AURKB Q96GD4 3/20 0.47
KDR P35968 3/20 0.47
INSR P06213 1/20 0.47
CDC7 O00311 1/20 0.46
AURKA O14965 1/20 0.46
WEE1 P30291 2/20 0.44
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40

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
SCHEMBL3582215 0.86 CDK4 (0.46) CDK4CCND1CCND2CCND3PTK2
SCHEMBL3577978 0.83 CDK4 (0.45) CDK4CCND1CCND2CCND3PTK2
SCHEMBL1355944 0.80 EIF2AK4 (0.52) CDK4CCND1CCND2CCND3PTK2
SCHEMBL1355282 0.80 KDR (0.46) CDK4CCND1CCND2CCND3PTK2
SCHEMBL1355227 0.80 CDK4 (0.47) CDK4CCND1CCND2CCND3PTK2
SCHEMBL1355878 0.80 EIF2AK4 (0.49) CDK4CCND1CCND2CCND3PTK2
SCHEMBL1355858 0.79 EIF2AK4 (0.61) CDK4CCND1CCND2CCND3PTK2
SCHEMBL1355130 0.79 EIF2AK4 (0.50) CDK4CCND1CCND2CCND3PTK2
SCHEMBL1353745 0.78 AURKA (0.53) AURKBAURKA
SCHEMBL1353795 0.77 DCLK1 (0.52) CDK4CCND1CCND2CCND3PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
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 claimed
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 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
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 (2 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 101/4885CCND1 160/4885CCND2 219/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND1 160/4885CCND2 219/4885

“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.