SCHEMBL2039102

SCHEMBL2039102

COC(=O)c1ccc(C(C)(C)c2nccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.43
F2 P00734 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 2/20 0.41
EGFR P00533 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ADORA2A P29274 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK10 P53779 2/20 0.40

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
SCHEMBL16205266 0.87 NPC1 (0.43) CA1CA2NPC1RAB9AKMT2A
SCHEMBL2890249 0.78 CA1 (0.59) CA1CA2NPC1RAB9AKMT2A
SCHEMBL2037667 0.75 LMNA (0.42) CA1CA2KMT2AMAPTEGFR
SCHEMBL21284667 0.75 TSHR (0.45) NPC1RAB9AHDAC6MAPTKDM4E
SCHEMBL592406 0.74 CA1 (0.68) CA1CA2NPC1RAB9AMAPT
SCHEMBL4295195 0.74 RAB9A (0.76) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL2696934 0.73 PDPK1 (0.42) KMT2AALDH1A1
SCHEMBL22178481 0.73 CA1 (0.53) CA1CA2NPC1RAB9AKMT2A
SCHEMBL3352615 0.73 KDM4E (0.53) CA1CA2NPC1RAB9AKMT2A
Water SCHEMBL28249729 0.72 CA1 (0.66) CA1CA2NPC1RAB9AMAPT

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 CA1 4383/4885CA2 3385/4885NPC1 4448/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK CA1 4383/4885CA2 3385/4885NPC1 4448/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK CA1 4383/4885CA2 3385/4885NPC1 4448/4885

“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.