SCHEMBL6990055

SCHEMBL6990055

O=C(NCc1ccc(C(F)(F)F)cc1)c1cnc(Cl)nc1N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.50
CTSS P25774 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
ATF1 P18846 1/20 0.46
NFKB1 P19838 1/20 0.46
BRAF P15056 2/20 0.44
KDM1A O60341 1/20 0.43
HDAC1 Q13547 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL7602331 0.88 TP53 (0.50) TP53CTSSRXFP1BRAFKDM1A
SCHEMBL7600845 0.82 CTSS (0.48) TP53CTSSRXFP1LMNATHRB
SCHEMBL6990873 0.82 NFKB1 (0.57) LMNAATF1NFKB1KDM1AHDAC1
SCHEMBL7089224 0.82 TP53 (0.49) TP53CTSSRXFP1THRBBRAF
SCHEMBL6288528 0.81 ATF1 (0.68) LMNAATF1NFKB1
SCHEMBL6288117 0.80 ATF1 (0.55) TP53RXFP1LMNAATF1NFKB1
SCHEMBL7601988 0.79 TP53 (0.44) TP53CTSSRXFP1BRAFADORA3
SCHEMBL7600009 0.79 TP53 (0.49) TP53CTSSRXFP1
SCHEMBL7607715 0.78 TP53 (0.44) TP53CTSSRXFP1LMNABRAF
SCHEMBL7647047 0.75 FLT3 (0.45) TP53CTSSRXFP1THRBBRAF

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 TP53 4790/4885CTSS 2132/4885RXFP1 764/4885

“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.