SCHEMBL9997018

SCHEMBL9997018

COc1cc(C2=NC(C)(C)CO2)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.42
TYK2 P29597 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
CYP2D6 P10635 1/20 0.40
TTK P33981 2/20 0.39
IL2 P60568 1/20 0.39
MAOB P27338 1/20 0.37

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
SCHEMBL8085943 0.89 MAPT (0.46) LMNAMAPTHTTKDM4ETYK2
SCHEMBL7283163 0.87 LMNA (0.49) LMNAMAPTHTTKDM4EHRH3
SCHEMBL22053097 0.84 LMNA (0.47) LMNAMAPTHTTKDM4ETYK2
SCHEMBL5234126 0.84 KDM4E (0.41) LMNAMAPTHTTKDM4ETYK2
SCHEMBL14743593 0.84 HTT (0.49) LMNAMAPTHTTKDM4EHRH3
SCHEMBL16264949 0.83 HTT (0.51) LMNAMAPTHTTKDM4EHRH3
SCHEMBL8493338 0.83 HTT (0.46) LMNAMAPTHTTKDM4ETYK2
SCHEMBL14743510 0.81 HTT (0.49) LMNAMAPTHTTKDM4EHRH3
SCHEMBL4900960 0.81 LMNA (0.49) LMNAMAPTHTTKDM4EHRH3
SCHEMBL26832840 0.81 LMNA (0.44) LMNAMAPTHTTKDM4ETYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
WO-2020112937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-06-04 WO 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-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-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
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 WO disclosed
CN-101370788-A Morpholino pyrimidine derivatives and their use in therapy ASTRAZENECA AB (SE) 2009-02-18 CN 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 LMNA 2078/4885MAPT 1236/4885HTT 1087/4885
US-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR LMNA 1474/4885MAPT 3372/4885HTT 1703/4885

“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.