SCHEMBL1933562

SCHEMBL1933562

Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cn2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.62
RET P07949 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PIK3CD O00329 1/20 0.49
PIK3CG P48736 1/20 0.49
GHSR Q92847 1/20 0.49
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46

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
SCHEMBL12070691 0.89 TTK (0.61) TTKRETMEN1KMT2ACA12
SCHEMBL13731733 0.89 PIK3CD (0.51) TTKRETMEN1KMT2APIK3CD
SCHEMBL16295257 0.85 MEN1 (0.50) TTKRETMEN1KMT2AGHSR
SCHEMBL12507077 0.84 TTK (0.75) TTKRET
SCHEMBL18896707 0.83 TTK (0.46) TTKMEN1KMT2APIK3CDPIK3CG
SCHEMBL9997048 0.83 PIK3CG (0.47) TTKPIK3CDPIK3CG
SCHEMBL13731580 0.81 TTK (0.48) TTKRETMEN1KMT2APIK3CD
SCHEMBL1932313 0.81 TTK (0.60) TTKPIK3CDPIK3CG
SCHEMBL12556010 0.80 TTK (0.70) TTK
SCHEMBL9997032 0.80 TTK (0.60) TTKKMT2APIK3CDPIK3CGEPHX2

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-9676766-B2 Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-13 US disclosed
US-9676766-B2 Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-13 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
EP-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
EP-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
EP-2507235-B1 TRIAZOLOPYRIMIDINES BAYER IP GMBH (DE) 2014-10-22 EP disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
EP-2699575-A1 TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2014-02-26 EP disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
EP-2582699-A1 SUBSTITUTED TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2012143329-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
EP-2507235-A1 TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2012-10-10 EP disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 WO disclosed
EP-2343297-A1 Triazolopyridines Bayer Schering Pharma AG (DE) 2011-07-13 EP disclosed
EP-2343297-A1 Triazolopyridines Bayer Schering Pharma AG (DE) 2011-07-13 EP disclosed
WO-2011063908-A1 TRIAZOLOPYRIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 WO disclosed
WO-2011063908-A1 TRIAZOLOPYRIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 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 (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-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR TTK 791/4885RET 284/4885MEN1 622/4885
US-20140120087-A1 TRIAZOLOPYRIDINES QDPR, TBXA2R, KCNJ11 TTK 2059/4885RET 932/4885MEN1 785/4885

“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.