SCHEMBL3086911

SCHEMBL3086911

Cc1cc(-c2c(C#N)c(NCCCO)nc3scc(N)c23)oc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 1/20 0.37
KDM4E B2RXH2 10/20 0.36
ALDH1A1 P00352 10/20 0.36
HPGD P15428 7/20 0.36
GAA P10253 6/20 0.36
GLA P06280 3/20 0.36
AURKA O14965 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
EGFR P00533 1/20 0.35
LMNA P02545 2/20 0.35
ATM Q13315 1/20 0.33
HSD17B10 Q99714 3/20 0.33
EEF2K O00418 1/20 0.32

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
SCHEMBL3091592 0.86 ADORA1 (0.40) ADORA1MAPK8MAPK9MAPK10KDM4E
SCHEMBL3098350 0.84 ADORA1 (0.41) ADORA1MAPK8MAPK9MAPK10KDM4E
SCHEMBL3081879 0.83 ADORA1 (0.40) ADORA1MAPK8MAPK9MAPK10KDM4E
SCHEMBL3092099 0.83 EEF2K (0.52) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL3650794 0.80 EEF2K (0.39) ADORA1MAPK8MAPK9MAPK10KDM4E
SCHEMBL3095668 0.78 ADORA1 (0.46) ADORA1MAPK8MAPK9MAPK10KDM4E
SCHEMBL3088855 0.76 EEF2K (0.52) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL3090670 0.74 EEF2K (0.49) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL3099045 0.73 NPC1 (0.39) ADORA1MAPK8MAPK9MAPK10KDM4E
SCHEMBL3648627 0.73 EEF2K (0.39) EEF2K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202882-B2 5-cyanothienopyridines for the treatment of tumours MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-06-19 US disclosed
US-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 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 (1 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-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS TGFBR1, TGFBR2, ACVR1 ADORA1 106/4885MAPK8 2267/4885MAPK9 1608/4885

“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.