SCHEMBL7092189

SCHEMBL7092189

CCCCCc1ncc(C(N)=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ RGS12 O14924 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RARB P10826 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ NNMT P40261 3/20 0.39
▸ HCAR3 P49019 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 2/20 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
SCHEMBL22401242 0.87 NNMT (0.42) EPHX2MEN1KMT2AAPAF1RGS12
SCHEMBL28261663 0.84 RARB (0.53) MEN1KMT2ARARBSMN1; SMN2RAB9A
SCHEMBL5572514 0.82 RARB (0.55) MEN1KMT2ARARBSMN1; SMN2RAB9A
SCHEMBL17101820 0.79 NNMT (0.45) EPHX2SMN1; SMN2NNMTKDM4ELMNA
SCHEMBL27716846 0.78 HCAR3 (0.49) MEN1KMT2ARARBSMN1; SMN2RAB9A
SCHEMBL11612813 0.78 RAB9A (0.67) MEN1KMT2ARARBSMN1; SMN2RAB9A
SCHEMBL11610529 0.77 RAB9A (0.69) MEN1KMT2ARARBSMN1; SMN2RAB9A
SCHEMBL11616542 0.77 RAB9A (0.69) MEN1KMT2ARARBSMN1; SMN2RAB9A
SCHEMBL28511100 0.76 RARB (0.39) MEN1KMT2ARARBSMN1; SMN2RAB9A
SCHEMBL28738783 0.76 HDAC1 (0.46) HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361879-A1 2,4-DISUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-19 — — EP disclosed
US-20020183335-A1 Administering disubstituted pyrimidine-5-carboxamide derivatives for therapy of disorders responsive to the modulation of the potassium channels BRISTOL-MYERS SQUIBB COMPANY 2002-12-05 — — US disclosed
WO-2002066036-A1 2,4-DISUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-29 — — 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-20020183335-A1 Administering disubstituted pyrimidine-5-carboxamide derivatives for therapy of disorders responsive to the modulation of the potassium channels KCNQ5, KCNQ1, KCNQ2 EPHX2 2868/4885MEN1 731/4885KMT2A 601/4885

“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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