SCHEMBL3226652

SCHEMBL3226652

CCN(C(=O)O)C(=S)Nc1ncccc1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
SORT1 Q99523 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCC1 P33527 1/20 0.35

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
SCHEMBL27742417 0.77 GAA (0.45) EGFRERBB2MEN1KMT2ANPC1
SCHEMBL20474443 0.76 MEN1 (0.33) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL17967008 0.75 GSK3B (0.51) EGFRERBB2MEN1KMT2ANPC1
SCHEMBL1808893 0.74 RIOK2 (0.45) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL15104669 0.73 RAB9A (0.46) EGFRERBB2MEN1KMT2ANPC1
SCHEMBL9350419 0.72 ABCC1 (0.56) KMT2AKDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL19920982 0.72 CHRNB2 (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL374899 0.72 KMT2A (0.46) EGFRERBB2MEN1KMT2ANPC1
SCHEMBL2772081 0.72 RAB9A (0.50) EGFRERBB2MEN1KMT2ANPC1
SCHEMBL1933448 0.71 RAB9A (0.53) MEN1KMT2ANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609687-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2013-12-17 US disclosed
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-09-06 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US 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-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 EGFR 1013/4885ERBB2 95/4885MEN1 3155/4885
US-20120225855-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 EGFR 1013/4885ERBB2 95/4885MEN1 3155/4885

“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.