SCHEMBL1355600

SCHEMBL1355600

Oc1ccc(-n2ncc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.54
CDK4 P11802 5/20 0.53
CCND1 P24385 4/20 0.53
CCND3 P30281 4/20 0.53
CCND2 P30279 3/20 0.53
AURKA O14965 2/20 0.53
STAT6 P42226 5/20 0.53
CDK2 P24941 3/20 0.53
CDK1 P06493 3/20 0.53
CCNB1 P14635 3/20 0.53
CCNE1 P24864 2/20 0.53
PKMYT1 Q99640 2/20 0.53
VCP P55072 1/20 0.52
CCNA2 P20248 2/20 0.52
RPS6KA3 P51812 2/20 0.52
CCNB2 O95067 2/20 0.52
CCNB3 Q8WWL7 2/20 0.52
CCNE2 O96020 1/20 0.52
CCNA1 P78396 1/20 0.52
IGF1R P08069 1/20 0.50

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
SCHEMBL1355170 0.86 EIF2AK4 (0.61) SYKCDK4CCND1CCND3CCND2
SCHEMBL1353936 0.82 AURKA (0.49) SYKCDK4CCND1CCND3CCND2
SCHEMBL3583463 0.81 CDK4 (0.52) SYKCDK4CCND1CCND3CCND2
SCHEMBL1355852 0.81 FGFR4 (0.63) CDK4CCND1CCND3CCND2AURKA
SCHEMBL3585927 0.80 STAT6 (0.53) SYKCDK4CCND1CCND3CCND2
SCHEMBL1356007 0.80 EIF2AK4 (0.67) SYKCDK4CCND1CCND3CCND2
SCHEMBL1355881 0.79 STAT6 (0.57) SYKCDK4CCND1CCND3CCND2
SCHEMBL1355991 0.79 CDK4 (0.53) SYKCDK4CCND1CCND3CCND2
SCHEMBL344502 0.78 CDK4 (0.60) CDK4CCND1CCND3CCND2STAT6
SCHEMBL344015 0.78 CDK4 (0.66) CDK4CCND1CCND3CCND2AURKA

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-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
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 SYK 1152/4885CDK4 101/4885CCND1 160/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 SYK 1152/4885CDK4 101/4885CCND1 160/4885

“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.