SCHEMBL16833734

SCHEMBL16833734

O=C(O)Nc1cc(Br)c2cc[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.45
AHR P35869 1/20 0.41
ESR1 P03372 3/20 0.40
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
GOT1 P17174 5/20 0.36
AURKA O14965 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
MAOA P21397 2/20 0.35
FBP1 P09467 1/20 0.34
CSNK2A1 P68400 1/20 0.34
XDH P47989 1/20 0.33
DHPS P49366 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL19100640 0.86 MAOA (0.46) RHEBAHRESR1MAPTMAOA
SCHEMBL22803571 0.77 EPHX2 (0.55) ESR1MAPTRAB9AGOT1
SCHEMBL3545296 0.75 AURKA (0.55) RHEBAHRESR1AURKATPX2
SCHEMBL1431398 0.73 PIP4K2A (0.44) RHEBAHRESR1CSNK2A1
SCHEMBL2213843 0.72 ESR1 (0.51) RHEBESR1
SCHEMBL4892478 0.71 ESR1 (0.61) ESR1NPC1MAPTRAB9AMAOA
SCHEMBL16834297 0.71 GOT1 (0.33) NPC1MAPTRAB9AGOT1MAOA
SCHEMBL19329728 0.71 RHEB (0.38) RHEBMAPTRAB9A
SCHEMBL994974 0.70 RHEB (0.44) RHEBAHRAURKATPX2CSNK2A1
Hydrochloric Acid SCHEMBL30940022 0.70 ESR1 (0.60) ESR1NPC1MAPTRAB9AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083559-B1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2021-03-10 EP disclosed
US-9822107-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
US-20160340351-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME LLC 2016-11-24 US disclosed
EP-3083559-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-10-26 EP disclosed
WO-2015095445-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 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-20160340351-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, TYRO3 RHEB 2062/4885AHR 467/4885ESR1 1566/4885

“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.