SCHEMBL1355752

SCHEMBL1355752

COc1ccc(-n2ncc3cnc(Nc4ccc(N5CCCCC5)cc4)nc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.62
TBK1 Q9UHD2 1/20 0.54
MAPT P10636 4/20 0.53
CDK4 P11802 8/20 0.53
CCND1 P24385 7/20 0.53
CDK2 P24941 3/20 0.53
CCNE1 P24864 2/20 0.53
KDR P35968 3/20 0.53
EGFR P00533 1/20 0.53
CCND2 P30279 3/20 0.53
CCND3 P30281 3/20 0.53
FGFR4 P22455 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MITF O75030 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52

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 0.91 EIF2AK4 (0.61) EIF2AK4TBK1CDK4CCND1CDK2
SCHEMBL1353760 0.91 EGFR (0.65) EIF2AK4TBK1CDK4CCND1CDK2
SCHEMBL1353701 0.90 EIF2AK4 (0.60) EIF2AK4TBK1CDK4CCND1CDK2
SCHEMBL1355679 0.86 FGFR4 (0.56) EIF2AK4TBK1CDK4CDK2KDR
SCHEMBL1355991 0.86 CDK4 (0.53) EIF2AK4MAPTCDK4CCND1CDK2
SCHEMBL1356756 0.85 CDK4 (0.58) EIF2AK4MAPTCDK4CCND1CDK2
SCHEMBL1356007 0.84 EIF2AK4 (0.67) EIF2AK4TBK1CDK4CCND1KDR
SCHEMBL1356186 0.84 EIF2AK4 (0.67) EIF2AK4TBK1CDK4CCND1KDR
SCHEMBL1356855 0.83 EIF2AK4 (0.64) EIF2AK4TBK1CDK4CCND1KDR
SCHEMBL1355792 0.81 EIF2AK4 (0.57) EIF2AK4TBK1CDK4CCND1CCND2

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 791/4885TBK1 1295/4885MAPT 733/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 EIF2AK4 791/4885TBK1 1295/4885MAPT 733/4885

“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.