SCHEMBL2506847

SCHEMBL2506847

COc1ccc(Cn2cc(-c3ccnc(Cl)n3)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CCNK O75909 1/20 0.56
CDK12 Q9NYV4 1/20 0.56
HSP90AA1 P07900 2/20 0.54
HSP90AB1 P08238 2/20 0.54
PTGS2 P35354 1/20 0.51
MAPT P10636 2/20 0.48
NR1I3 Q14994 2/20 0.47
SNCA P37840 1/20 0.47
CYP19A1 P11511 2/20 0.47
NLRP3 Q96P20 1/20 0.46
KDR P35968 2/20 0.45
TEK Q02763 1/20 0.45

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
SCHEMBL30643920 0.80 MEN1 (0.58) MEN1KMT2ANPC1RAB9ACCNK
SCHEMBL26618971 0.80 MEN1 (0.58) MEN1KMT2ANPC1RAB9ACCNK
SCHEMBL27939486 0.79 MEN1 (0.60) MEN1KMT2ANPC1RAB9ACCNK
SCHEMBL16833928 0.79 MEN1 (0.63) MEN1KMT2ANPC1RAB9ACCNK
SCHEMBL13728011 0.75 MEN1 (0.62) MEN1KMT2ANPC1RAB9ACCNK
SCHEMBL25224063 0.75 MEN1 (0.78) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL28330051 0.74 MEN1 (0.77) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL26619001 0.74 MEN1 (0.63) MEN1KMT2ANPC1RAB9ACCNK
SCHEMBL29094364 0.73 MEN1 (0.58) MEN1KMT2ANPC1RAB9ACCNK
SCHEMBL19026569 0.73 MEN1 (0.71) MEN1KMT2ANPC1RAB9AHSP90AA1

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
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
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 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 (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 MEN1 4876/4885KMT2A 1532/4885NPC1 4448/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK MEN1 4876/4885KMT2A 1532/4885NPC1 4448/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK MEN1 4876/4885KMT2A 1532/4885NPC1 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.