SCHEMBL2388264

SCHEMBL2388264

CN(CCO)c1cccc(CN)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.44
▸ NOS1 P29475 9/20 0.43
▸ NOS2 P35228 8/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ NOS3 P29474 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ PNMT P11086 1/20 0.40
▸ LOXL2 Q9Y4K0 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37

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
SCHEMBL9446191 0.84 SIGMAR1 (0.48) SIGMAR1
SCHEMBL14196578 0.82 L3MBTL1 (0.44) NOS1NOS2NOS3ALDH1A1LOXL2
SCHEMBL9446203 0.81 NOS1 (0.42) NOS1NOS2MAP4K4
SCHEMBL28084794 0.80 ALDH1A1 (0.46) ENPP2NOS1NOS2NOS3ALDH1A1
Hydrochloric Acid SCHEMBL2464384 0.80 NOS1 (0.47) ENPP2NOS1NOS2PNMTL3MBTL1
SCHEMBL27522780 0.79 NOS1 (0.44) ENPP2NOS1NOS2ALDH1A1PNMT
SCHEMBL303475 0.78 ENPP2 (0.43) ENPP2NOS1NOS2NOS3ALDH1A1
SCHEMBL348900 0.77 ALDH1A1 (0.48) ENPP2NOS1NOS2NOS3ALDH1A1
SCHEMBL31662833 0.77 ALDH1A1 (0.48) ENPP2NOS1NOS2NOS3ALDH1A1
SCHEMBL8095675 0.77 HTR7 (0.47) MAP4K4ALDH1A1CYP3A4L3MBTL1SIGMAR1

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-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 ENPP2 1138/4885NOS1 807/4885NOS2 534/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 ENPP2 2150/4885NOS1 857/4885NOS2 693/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 ENPP2 1138/4885NOS1 807/4885NOS2 534/4885

“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.

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