SCHEMBL16372124

SCHEMBL16372124

O=C(O)Nc1cc(Cl)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATF1 P18846 1/20 0.49
NFKB1 P19838 1/20 0.49
S1PR2 O95136 2/20 0.44
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
PPARA Q07869 7/20 0.35
PPARG P37231 5/20 0.34
RXRA P19793 4/20 0.34
RXRG P48443 4/20 0.34
RXRB P28702 3/20 0.34
PPARD Q03181 3/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 2/20 0.34
GAA P10253 2/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL10847312 0.82 S1PR2 (0.42) ATF1NFKB1S1PR2LMNAALDH1A1
SCHEMBL15881004 0.82 MEN1 (0.44) LMNAALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL1489997 0.82 ATF1 (0.48) ATF1NFKB1S1PR2LMNASMN1; SMN2
SCHEMBL23851966 0.81 ATF1 (0.40) ATF1NFKB1S1PR2LMNAALDH1A1
SCHEMBL16965029 0.80 S1PR2 (0.44) ATF1NFKB1S1PR2ALDH1A1SMN1; SMN2
SCHEMBL28066873 0.75 HPGD (0.48) ATF1NFKB1S1PR2LMNAALDH1A1
SCHEMBL16372091 0.75 PPARA (0.48) NFKB1LMNAALDH1A1MAPK1MAPT
Bicarbonate SCHEMBL10635309 0.75 LMNA (0.46) ATF1NFKB1S1PR2LMNAALDH1A1
SCHEMBL11020679 0.74 ATF1 (0.41) ATF1NFKB1S1PR2LMNACYP2D6
SCHEMBL22631358 0.74 S1PR2 (0.39) NFKB1S1PR2LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019480-B1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
EP-3019480-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER Agios Pharmaceuticals, Inc. (US) 2016-05-18 EP disclosed
WO-2015006591-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. (US) 2015-01-15 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 (1 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-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A ATF1 4579/4885NFKB1 3647/4885S1PR2 3975/4885

“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.