SCHEMBL2040372

SCHEMBL2040372

O=C(O)N1CCC[C@](O)(c2ncc(Br)s2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.33
PKLR P30613 2/20 0.32
HTR1A P08908 1/20 0.32
LMNA P02545 1/20 0.32
FPR2 P25090 3/20 0.31
FPR3 P25089 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2035683 0.82 HPGD (0.38) POLBHPGDMEN1KMT2A
SCHEMBL2016186 0.80 FPR2 (0.34) FPR2FPR3
SCHEMBL2040277 0.77 FPR3 (0.31) FPR2FPR3
SCHEMBL12879359 0.76 POLB (0.40) POLB
SCHEMBL13517859 0.76 OPRL1 (0.52) ALDH1A1
SCHEMBL18149352 0.73 ALDH1A1 (0.36) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL2044336 0.72 SYK (0.43) FPR2FPR3
SCHEMBL16197206 0.72 SYK (0.43) FPR2FPR3
SCHEMBL16197207 0.72 SYK (0.43) FPR2FPR3
SCHEMBL31283570 0.72 SYK (0.42) POLB

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
CN-102858767-A Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME 2013-01-02 CN 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
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 (2 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-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK POLB 632/4885HPGD 1420/4885ALDH1A1 1614/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK POLB 632/4885HPGD 1420/4885ALDH1A1 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.