SCHEMBL3101686

SCHEMBL3101686

Cc1ccc(-c2c(C#N)c(NCCCOCCN(C)C)nc3sc(C(N)=O)c(N)c23)o1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSP90AB1 P08238 1/20 0.41
LIMK1 P53667 1/20 0.41
BRAF P15056 2/20 0.40
EEF2K O00418 9/20 0.37
IKBKB O14920 3/20 0.36

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
SCHEMBL3090523 0.92 MAPT (0.49) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL3655949 0.90 ALDH1A1 (0.34) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL3101803 0.89 MAPT (0.49) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL3087584 0.87 MAPT (0.52) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL3084095 0.87 EEF2K (0.46) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL3095689 0.87 MEN1 (0.51) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL3099226 0.86 MEN1 (0.51) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL3102085 0.83 EEF2K (0.46) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL3088911 0.83 MAPT (0.48) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL3649451 0.82 ALDH1A1 (0.37) MAPTMEN1ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US claimed
US-8202882-B2 5-cyanothienopyridines for the treatment of tumours MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-06-19 US disclosed
US-8202882-B2 5-cyanothienopyridines for the treatment of tumours MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-06-19 US disclosed
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
US-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 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 MAPT 4149/4885MEN1 539/4885ALDH1A1 1503/4885

“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.