SCHEMBL2038522

SCHEMBL2038522

CCOC(C)(OCC)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
PKM P14618 3/20 0.36
FBP1 P09467 1/20 0.35
ALOX5 P09917 12/20 0.33
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL1614347 0.78 ALOX5 (0.37) ALDH1A1FBP1ALOX5TSHRNOS1
SCHEMBL21791636 0.74 MEN1 (0.40) ALDH1A1PKMFBP1ALOX5TSHR
SCHEMBL22863282 0.74 FBP1 (0.38) ALDH1A1PKMFBP1ALOX5TSHR
SCHEMBL12243140 0.74 FBP1 (0.38) ALDH1A1PKMFBP1ALOX5TSHR
SCHEMBL684232 0.72
SCHEMBL21236276 0.71 ALOX5 (0.36) ALDH1A1PKMFBP1ALOX5TSHR
SCHEMBL31026178 0.71 ALOX5 (0.39) ALDH1A1PKMFBP1ALOX5TSHR
SCHEMBL21962174 0.70 ALDH1A1 (0.48) ALDH1A1PKMTSHRHSD17B10NPC1
SCHEMBL3189349 0.70 ALDH1A1 (0.48) ALDH1A1PKMTSHRHSD17B10NPC1
SCHEMBL9372859 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK ALDH1A1 1614/4885PKM 1288/4885FBP1 2177/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK ALDH1A1 1614/4885PKM 1288/4885FBP1 2177/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK ALDH1A1 1614/4885PKM 1288/4885FBP1 2177/4885

“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.