SCHEMBL7600845

SCHEMBL7600845

C#CCOc1ncc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(N2CCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.48
TP53 P04637 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
BRAF P15056 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
PDE4B Q07343 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MTTP P55157 1/20 0.39

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
SCHEMBL7601988 0.83 TP53 (0.44) CTSSTP53RXFP1BRAFPDE4B
SCHEMBL7602331 0.82 TP53 (0.50) CTSSTP53RXFP1BRAFKDM1A
SCHEMBL6990055 0.82 TP53 (0.50) CTSSTP53RXFP1BRAFLMNA
SCHEMBL7600009 0.81 TP53 (0.49) CTSSTP53RXFP1PDE4B
SCHEMBL7607715 0.80 TP53 (0.44) CTSSTP53RXFP1BRAFLMNA
SCHEMBL7089224 0.79 TP53 (0.49) CTSSTP53RXFP1BRAFTHRB
SCHEMBL6288117 0.75 ATF1 (0.55) TP53RXFP1BRAFLMNA
SCHEMBL7647047 0.71 FLT3 (0.45) CTSSTP53RXFP1BRAFTHRB
SCHEMBL7145186 0.70 FLT3 (0.43) CTSSTP53RXFP1BRAFLMNA
SCHEMBL6990873 0.67 NFKB1 (0.57) LMNAKDM1AHDAC1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CTSS 2132/4885TP53 4790/4885RXFP1 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.