SCHEMBL1355968

SCHEMBL1355968

c1ccc(Cn2ncc3cnc(Nc4ccc(N5CCCCC5)cc4)nc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 7/20 0.58
CDK4 P11802 6/20 0.53
CCND1 P24385 6/20 0.53
CCND2 P30279 6/20 0.53
CCND3 P30281 6/20 0.53
CCNA2 P20248 2/20 0.53
CDK2 P24941 2/20 0.53
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNE1 P24864 1/20 0.49
CCNA1 P78396 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
EGFR P00533 1/20 0.47
WEE1 P30291 2/20 0.47
FGFR4 P22455 1/20 0.46
ALK Q9UM73 1/20 0.46

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
SCHEMBL344496 0.81 CDK4 (0.62) STAT6CDK4CCND1CCND2CCND3
SCHEMBL1355615 0.81 CDK4 (0.58) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL1355464 0.81 CDK4 (0.57) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL343368 0.79 CDK4 (0.51) STAT6CDK4CCND1CCND2CCND3
SCHEMBL672851 0.79 JAK3 (0.49) STAT6CDK4CCND1CCND2CCND3
SCHEMBL1355861 0.78 CDK4 (0.59) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL672881 0.78 ALK (0.55) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1355309 0.78 STAT6 (0.57) STAT6CDK4CCND1CCND2CCND3
SCHEMBL31299871 0.77 PTGS2 (0.49) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1355913 0.77 STAT6 (0.51) STAT6CDK4CCND1CCND2CCND3

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 4 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

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 STAT6 2214/4885CDK4 101/4885CCND1 160/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 STAT6 2214/4885CDK4 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.