SCHEMBL1933162

SCHEMBL1933162

COc1cc(C(=O)NC(C)(C)CO)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX12 P18054 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
SMPD1 P17405 5/20 0.42
IMPDH2 P12268 1/20 0.42
RECQL P46063 1/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL1933702 0.86 NPC1 (0.48) RAB9ANPC1ATMALDH1A1MEN1
SCHEMBL1933083 0.85 ALDH1A1 (0.59) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL14452333 0.83 RAB9A (0.50) RAB9ANPC1ATMALDH1A1MEN1
SCHEMBL12553697 0.83 RAB9A (0.45) RAB9ANPC1ATMALDH1A1MEN1
SCHEMBL25385568 0.81 NPC1 (0.53) RAB9ANPC1ATMALDH1A1CNR1
SCHEMBL14749180 0.81 RAB9A (0.53) RAB9ANPC1ATMALDH1A1MEN1
SCHEMBL12553696 0.81 NPC1 (0.53) RAB9ANPC1ATMMAPTL3MBTL1
SCHEMBL9221435 0.79 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL27026756 0.79 MAPT (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL14743630 0.78 RAB9A (0.53) RAB9ANPC1ATMALDH1A1MEN1

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 29 patents — showing the first 20. 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
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-2507236-B1 Triazolopyridine derivates BAYER IP GMBH (DE) 2014-12-17 EP disclosed
EP-2507236-B1 Triazolopyridine derivates BAYER IP GMBH (DE) 2014-12-17 EP disclosed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 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-2507236-A1 TRIAZOLOPYRIDINE DERIVATIVES 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
WO-2011064328-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 WO disclosed
WO-2011064328-A1 TRIAZOLOPYRIDINE DERIVATIVES 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 RAB9A 3462/4885NPC1 4595/4885ATM 759/4885
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES TTBK1, BUB1, TTK RAB9A 2473/4885NPC1 1638/4885ATM 195/4885

“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.