SCHEMBL6990873

SCHEMBL6990873

O=C(NCc1ccc(C(F)(F)F)cc1)c1cnc(Cl)nc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.57
JUN P05412 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
ATF1 P18846 1/20 0.53
LMNA P02545 1/20 0.52
HDAC1 Q13547 2/20 0.49
KDM1A O60341 1/20 0.49
SORT1 Q99523 1/20 0.49
PSMD14 O00487 1/20 0.47
STAMBP O95630 1/20 0.47
LSS P48449 1/20 0.47
CNR2 P34972 6/20 0.47
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CYP1A2 P05177 2/20 0.45

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
SCHEMBL6288528 0.89 ATF1 (0.68) NFKB1JUNNFKB2RELAATF1
SCHEMBL8544541 0.88 JUN (0.67) NFKB1JUNNFKB2RELAATF1
SCHEMBL15759019 0.86 KMT2A (0.51) LMNACNR2CYP1A2CYP2C9CYP2C19
SCHEMBL14769150 0.83 RXFP1 (0.52) LMNAADORA2AADORA1MAPT
SCHEMBL6990055 0.82 TP53 (0.50) NFKB1ATF1LMNAHDAC1KDM1A
SCHEMBL12519684 0.80 HPGD (0.54) LMNACNR2CYP1A2CYP2C9CYP2C19
SCHEMBL4745582 0.78 CNR2 (0.69) NFKB1ATF1LMNACNR2
SCHEMBL4760382 0.77 NFKB1 (0.56) NFKB1JUNNFKB2RELAATF1
SCHEMBL31023447 0.75 PPARA (0.58) SORT1MAPT
SCHEMBL6356701 0.75 MAPK14 (0.56) LMNASORT1LSSMAPK14

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 NFKB1 1080/4885JUN 3580/4885NFKB2 1468/4885

“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.