SCHEMBL9999391

SCHEMBL9999391

O=C(c1ccc(Br)c(OCC(F)(F)F)c1)N1CC2(COC2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
LRRK2 Q5S007 7/20 0.42
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 4/20 0.40
PDE4B Q07343 1/20 0.37
VNN1 O95497 1/20 0.37
GABRA5 P31644 1/20 0.36
AKR1C3 P42330 1/20 0.36
RXRA P19793 1/20 0.36
HNF4A P41235 1/20 0.36
EPHX2 P34913 1/20 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
SCHEMBL12068768 0.87 MRGPRX4 (0.45) MRGPRX4LRRK2CNR2PDE4BGABRA5
SCHEMBL9996810 0.86 LRRK2 (0.43) MRGPRX4LRRK2GLAKMT2ACNR2
SCHEMBL9996953 0.85 LRRK2 (0.51) LRRK2GLAKMT2A
SCHEMBL12068534 0.85 LRRK2 (0.41) MRGPRX4LRRK2GLAKMT2APDE4B
SCHEMBL9999224 0.83 KMT2A (0.59) LRRK2GLAKMT2AEPHX2
SCHEMBL9997082 0.81 GLA (0.53) LRRK2GLAKMT2A
SCHEMBL30602377 0.81 GLA (0.53) LRRK2GLAKMT2A
SCHEMBL15036821 0.81 HPGD (0.50) GLAKMT2A
SCHEMBL15036968 0.80 GLRA1 (0.41) MRGPRX4LRRK2GLAKMT2ACNR2
SCHEMBL14060831 0.79 MRGPRX4 (0.47) MRGPRX4LRRK2GLAKMT2ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US 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-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 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 (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-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR MRGPRX4 939/4885LRRK2 1525/4885GLA 2516/4885

“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.