SCHEMBL9997000

SCHEMBL9997000

COc1cc(C(=O)N2CCC2)ccc1Br

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.60
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GLA P06280 1/20 0.60
HSD17B10 Q99714 2/20 0.58
TSHR P16473 1/20 0.56
ALDH1A1 P00352 4/20 0.53
POLB P06746 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.51
DUSP3 P51452 1/20 0.50
GFER P55789 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL30602435 1.00 HPGD (0.60) HPGDKMT2AL3MBTL1GLAHSD17B10
SCHEMBL15020081 0.97 HPGD (0.64) HPGDKMT2AL3MBTL1GLAHSD17B10
SCHEMBL9996874 0.88 POLB (0.63) HPGDKMT2AL3MBTL1GLATSHR
SCHEMBL789725 0.87 KMT2A (0.80) HPGDKMT2AL3MBTL1GLAALDH1A1
SCHEMBL15021744 0.86 KMT2A (0.55) HPGDKMT2AL3MBTL1GLAHSD17B10
SCHEMBL9997035 0.86 KMT2A (0.55) HPGDKMT2AL3MBTL1GLAALDH1A1
SCHEMBL12068505 0.86 GLA (0.55) HPGDKMT2AL3MBTL1GLAHSD17B10
SCHEMBL19869974 0.83 KMT2A (0.55) HPGDKMT2AL3MBTL1GLAALDH1A1
SCHEMBL9996943 0.82 GLA (0.51) HPGDKMT2AL3MBTL1GLAHSD17B10
SCHEMBL9996788 0.82 GLA (0.51) HPGDKMT2AL3MBTL1GLAHSD17B10

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 53 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-20170342064-A1 COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 US disclosed
EP-3230285-A1 COMPOUNDS FOR THE TREATMENT OF CANCER Bayer Pharma Aktiengesellschaft (DE) 2017-10-18 EP disclosed
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
EP-3008062-B1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma AG (DE) 2017-04-05 EP disclosed
EP-3008062-B1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma AG (DE) 2017-04-05 EP disclosed
WO-2014009219-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-16 WO disclosed
WO-2013087579-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 WO 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
WO-2013087579-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 WO 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
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 (3 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 HPGD 4476/4885KMT2A 206/4885L3MBTL1 914/4885
US-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR HPGD 1247/4885KMT2A 3323/4885L3MBTL1 2924/4885
US-20170342064-A1 COMPOUNDS FOR THE TREATMENT OF CANCER MPST, TK1, BRCA1 HPGD 1563/4885KMT2A 3222/4885L3MBTL1 1545/4885

“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.