SCHEMBL2014949

SCHEMBL2014949

FC(F)(F)C(F)(F)c1ccnc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
CYP19A1 P11511 1/20 0.33
ADRB1 P08588 1/20 0.31
RPS6KA5 O75582 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL31038939 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3ADRB1
SCHEMBL17959 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3ADRB1
SCHEMBL1661164 0.81 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3CYP19A1
SCHEMBL31543495 0.81 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3CYP19A1
SCHEMBL26686630 0.79 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3CYP19A1
SCHEMBL30632766 0.79 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3CYP19A1
SCHEMBL16115627 0.76 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA3
SCHEMBL7171955 0.76 CYP3A4 (0.46) GABRA1GABRG2GABRB3GABRA3CYP19A1
SCHEMBL8751966 0.75 TRPV4 (0.33) ADRB1
SCHEMBL28173201 0.75 SORT1 (0.36) ADRB1

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 6 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
WO-2011075517-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 GABRA1 3283/4885GABRG2 3519/4885GABRB3 4157/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK GABRA1 3283/4885GABRG2 3519/4885GABRB3 4157/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK GABRA1 3283/4885GABRG2 3519/4885GABRB3 4157/4885

“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.