SCHEMBL15036890

SCHEMBL15036890

COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](N)c4ccc(F)cc4)cc3)cn2n1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.85
KIT P10721 1/20 0.85
MTOR P42345 1/20 0.85
MAPK8 P45983 1/20 0.85
MAPK9 P45984 1/20 0.85
MAPK10 P53779 1/20 0.85
STK38 Q15208 1/20 0.85
BRSK2 Q8IWQ3 1/20 0.85
MINK1 Q8N4C8 1/20 0.85
PIP4K2C Q8TBX8 1/20 0.85
MAP4K1 Q92918 1/20 0.85
PIK3CD O00329 1/20 0.45
PIK3CG P48736 1/20 0.45

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
Bay-1161909 SCHEMBL15036679 0.92 TTK (1.00) TTKKITMTORMAPK8MAPK9
Bay-1161909 SCHEMBL15036597 0.92 TTK (1.00) TTKKITMTORMAPK8MAPK9
Bay-1161909 SCHEMBL29446169 0.92 TTK (1.00) TTKKITMTORMAPK8MAPK9
Bay-1161909 SCHEMBL19729431 0.92 TTK (1.00) TTKKITMTORMAPK8MAPK9
SCHEMBL15020285 0.90 TTK (0.70) TTKKITMTORMAPK8MAPK9
SCHEMBL15434311 0.90 TTK (0.89) TTKKITMTORMAPK8MAPK9
SCHEMBL15020288 0.90 TTK (0.89) TTKKITMTORMAPK8MAPK9
SCHEMBL15020652 0.90 TTK (0.89) TTKKITMTORMAPK8MAPK9
SCHEMBL16736971 0.89 TTK (0.82) TTKKITMTORMAPK8MAPK9
Bay-1161909 SCHEMBL19716256 0.87 TTK (0.89) TTKKITMTORMAPK8MAPK9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US claimed
US-20160128988-A1 COMBINATIONS FOR THE TREATMENT OF CANCER COMPRISING A MPS-1 KINASE INHIBITOR AND A MITOTIC INHIBITOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 US claimed
US-20160120854-A1 PHARMACEUTICAL COMPOSITIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US claimed
US-20150210683-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-30 US claimed
EP-2791136-B1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER IP GMBH (DE) 2015-07-29 EP claimed
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US claimed
WO-2014020043-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 WO claimed
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
US-9388177-B2 Method for preparing substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-12 US disclosed
US-9388177-B2 Method for preparing substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-12 US disclosed
US-20160128988-A1 COMBINATIONS FOR THE TREATMENT OF CANCER COMPRISING A MPS-1 KINASE INHIBITOR AND A MITOTIC INHIBITOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 US disclosed
US-20160120854-A1 PHARMACEUTICAL COMPOSITIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
EP-2791136-B1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER IP GMBH (DE) 2015-07-29 EP disclosed
EP-2791136-B1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER IP GMBH (DE) 2015-07-29 EP disclosed
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
WO-2014020043-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 WO disclosed
WO-2014009219-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-16 WO disclosed
WO-2013087579-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 WO 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 (4 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-20160128988-A1 COMBINATIONS FOR THE TREATMENT OF CANCER COMPRISING A MPS-1 KINASE INHIBITOR AND A MITOTIC INHIBITOR BUB1B, BUB1, PLK1 TTK 14/4885KIT 2137/4885MTOR 558/4885
US-20150210683-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS TTK, TXK, ITK TTK 1/4885KIT 393/4885MTOR 1921/4885
US-20160120854-A1 PHARMACEUTICAL COMPOSITIONS CYP3A5, CYP2C19, CYP3A7 TTK 2548/4885KIT 371/4885MTOR 3633/4885
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES QDPR, CYP3A5, CYP3A7 TTK 1843/4885KIT 56/4885MTOR 4650/4885

“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.