SCHEMBL2496856

SCHEMBL2496856

CC1(C)OB(c2cc(N)cc([N+](=O)[O-])c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
GPR35 Q9HC97 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL1572672 0.88 CYP19A1 (0.45) MAPTTSHRALDH1A1POLBHTT
SCHEMBL30339941 0.82 TSHR (0.55) MAPTTSHRALDH1A1HTTMEN1
SCHEMBL31290955 0.81 KMT2A (0.41) MAPTTSHRALDH1A1HTTMEN1
SCHEMBL4161612 0.81 LPL (0.44) TSHRALDH1A1HTTMEN1KMT2A
SCHEMBL3805692 0.81 KMT2A (0.41) MAPTTSHRALDH1A1HTTMEN1
SCHEMBL3497830 0.81 ALDH1A1 (0.40) TSHRALDH1A1HTTMEN1KMT2A
SCHEMBL19813786 0.80 LPL (0.44) CA1CA2CA9CA12CA3
SCHEMBL15649400 0.78 MAPT (0.37) MAPTTSHRALDH1A1NPC1POLB
SCHEMBL13336427 0.78 LMNA (0.48) MAPTTSHRALDH1A1POLBHTT
SCHEMBL10225795 0.77 TP53 (0.44) MAPTALDH1A1POLBMEN1KMT2A

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 MAPT 3486/4885TSHR 2833/4885ALDH1A1 1614/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK MAPT 3486/4885TSHR 2833/4885ALDH1A1 1614/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK MAPT 3486/4885TSHR 2833/4885ALDH1A1 1614/4885

“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.