SCHEMBL3081879

SCHEMBL3081879

Cc1ccc(-c2c(C#N)c(NCCCCO)nc3scc(N)c23)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.40
AURKA O14965 1/20 0.36
KDM4E B2RXH2 12/20 0.36
ALDH1A1 P00352 12/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 6/20 0.36
HPGD P15428 8/20 0.36
HSD17B10 Q99714 4/20 0.36
HTT P42858 3/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 6/20 0.35
MAPK1 P28482 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35

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 0.97 ADORA1 (0.40) ADORA1AURKAKDM4EALDH1A1L3MBTL1
SCHEMBL3086911 0.83 ADORA1 (0.38) ADORA1AURKAKDM4EALDH1A1GAA
SCHEMBL3099226 0.83 MEN1 (0.51) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3095689 0.80 MEN1 (0.51) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3098350 0.80 ADORA1 (0.41) ADORA1KDM4EALDH1A1GAAHPGD
SCHEMBL3649435 0.80 ALDH1A1 (0.38) ADORA1AURKAKDM4EALDH1A1L3MBTL1
SCHEMBL3095668 0.76 ADORA1 (0.46) ADORA1KDM4EALDH1A1GAAHPGD
SCHEMBL3087584 0.76 MAPT (0.52) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3090523 0.75 MAPT (0.49) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3099045 0.73 NPC1 (0.39) ADORA1KDM4EALDH1A1GAAHPGD

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 106/4885AURKA 484/4885KDM4E 2714/4885

“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.