SCHEMBL2386178

SCHEMBL2386178

NCc1cc(CO)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
PARP1 P09874 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.38
KIF11 P52732 1/20 0.37
MAOB P27338 2/20 0.36
TAAR1 Q96RJ0 2/20 0.35
BACE1 P56817 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ABAT P80404 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL15471729 0.86 TAAR1 (0.47) CYP4F2CYP4A11MAOBTAAR1BACE1
SCHEMBL28182676 0.85 CYP4F2 (0.47) CYP4F2CYP4A11KIF11MAOBSLC6A2
SCHEMBL27663597 0.85 LOXL2 (0.48) PARP1LOXL2MAOBTAAR1ABAT
SCHEMBL18488827 0.84 BACE1 (0.44) PARP1LOXL2TAAR1BACE1SLC6A2
SCHEMBL3689851 0.83 LOXL2 (0.44) CYP4F2CYP4A11PARP1LOXL2MAOB
SCHEMBL2948434 0.83 CYP4F2 (0.40) CYP4F2CYP4A11LOXL2KIF11TAAR1
Hydrochloric Acid SCHEMBL29468022 0.82 MAOB (0.45) LOXL2MAOBTAAR1ABAT
SCHEMBL27784802 0.81 CA2 (0.41) PARP1TAAR1BACE1SLC6A2SLC6A4
SCHEMBL23199297 0.80 EGFR (0.39) LOXL2BACE1ABATPRSS1PRSS2
SCHEMBL13617385 0.79 CYP4F2 (0.51) CYP4F2CYP4A11KIF11MAOBBACE1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103702979-B 4-aryl-N-phenyl-1,3,5-triazine-2-amine containing sulfenimide group 拜耳知识产权有限责任公司 2016-09-28 CN disclosed
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 EP 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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 CYP4F2 3118/4885CYP4A11 3080/4885PARP1 3492/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 CYP4F2 2902/4885CYP4A11 2923/4885PARP1 3582/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 CYP4F2 3118/4885CYP4A11 3080/4885PARP1 3492/4885

“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.