SCHEMBL1353701

SCHEMBL1353701

COc1ccc(-n2ncc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.60
CDK4 P11802 11/20 0.55
CCND1 P24385 9/20 0.55
CDK2 P24941 6/20 0.55
CCNE1 P24864 3/20 0.55
CDK1 P06493 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNA2 P20248 4/20 0.54
TBK1 Q9UHD2 1/20 0.53
FGFR1 P11362 5/20 0.52
EGFR P00533 1/20 0.52
KDR P35968 1/20 0.52
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
ADRB1 P08588 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
FGFR4 P22455 5/20 0.51

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
SCHEMBL1356819 0.90 CDK4 (0.59) EIF2AK4CDK4CCND1CDK2CCNE1
SCHEMBL1355752 0.90 EIF2AK4 (0.62) EIF2AK4CDK4CCND1CDK2CCNE1
SCHEMBL1353760 0.89 EGFR (0.65) EIF2AK4CDK4CCND1CDK2CCNE1
SCHEMBL1355170 0.89 EIF2AK4 (0.61) EIF2AK4CDK4CCND1CDK2CCNE1
SCHEMBL344502 0.87 CDK4 (0.60) CDK4CCND1CDK2CCNE1CCNA2
SCHEMBL1355913 0.85 STAT6 (0.51) EIF2AK4CDK4CCND1CDK2CCNE1
SCHEMBL1355679 0.84 FGFR4 (0.56) EIF2AK4CDK4CDK2TBK1EGFR
SCHEMBL1356007 0.83 EIF2AK4 (0.67) EIF2AK4CDK4CCND1TBK1FGFR1
SCHEMBL1356186 0.83 EIF2AK4 (0.67) EIF2AK4CDK4CCND1TBK1FGFR1
SCHEMBL1356855 0.81 EIF2AK4 (0.64) EIF2AK4CDK4CCND1TBK1FGFR1

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 EIF2AK4 791/4885CDK4 101/4885CCND1 160/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885CDK4 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.