SCHEMBL2184476

SCHEMBL2184476

Nc1nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)cn2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SMYD3 Q9H7B4 3/20 0.49
TTK P33981 1/20 0.45
PIK3CA P42336 3/20 0.44
PIK3CG P48736 3/20 0.44
JAK1 P23458 1/20 0.44
BACE1 P56817 1/20 0.43
HDAC4 P56524 1/20 0.43
PIK3CD O00329 2/20 0.43
FYN P06241 1/20 0.43
PIK3CB P42338 1/20 0.42
MAPT P10636 1/20 0.42
ATR Q13535 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
BMPR1B O00238 1/20 0.42

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
SCHEMBL9996867 0.82 PIK3CA (0.54) TTKPIK3CAPIK3CGHDAC4AKT1
SCHEMBL26856889 0.82 PIK3CG (0.43) TTKPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL12068444 0.81 PIK3CA (0.50) MEN1KMT2ATTKPIK3CAPIK3CG
SCHEMBL1932766 0.79 PIK3CG (0.49) KMT2ATTKPIK3CAPIK3CGPIK3CD
SCHEMBL936693 0.79 PIK3CG (0.49) PIK3CAPIK3CGPIK3CDFYNPIK3CB
SCHEMBL26856888 0.78 PIK3CG (0.41) TTKPIK3CAPIK3CGJAK1PIK3CD
SCHEMBL26856887 0.78 PIK3CG (0.41) RAB9AMEN1NPC1KMT2APIK3CA
SCHEMBL26856885 0.77 PIK3CG (0.41) RAB9AMEN1NPC1KMT2APIK3CA
SCHEMBL26856893 0.77 PIK3CG (0.41) RAB9AMEN1NPC1KMT2APIK3CA
SCHEMBL1931983 0.77 CFTR (0.42) TTKPIK3CAPIK3CGHDAC4PIK3CD

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 16 patents. 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-9676766-B2 Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-13 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
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
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-20120328610-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 US disclosed
US-20120328610-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 US disclosed
US-20120328610-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 US disclosed
WO-2012143329-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO 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

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-20140120087-A1 TRIAZOLOPYRIDINES QDPR, TBXA2R, KCNJ11 RAB9A 1471/4885MEN1 785/4885NPC1 1075/4885
US-20120328610-A1 TRIAZOLOPYRIDINES TTBK1, BUB1, BUB1B RAB9A 2337/4885MEN1 441/4885NPC1 1493/4885

“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.