SCHEMBL6754277

SCHEMBL6754277

Cc1ncn(-c2ccc(F)c(N)c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP11B2 P19099 2/20 0.35
THRB P10828 1/20 0.33
PTGS2 P35354 1/20 0.33
RAD52 P43351 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
PI4KA P42356 1/20 0.33

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
SCHEMBL22143673 0.75 MKNK1 (0.52) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL6757787 0.73 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL19214262 0.72 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL6756935 0.69 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL22114469 0.68 FGFR1 (0.57) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL22510633 0.67 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL6756743 0.67 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL24784278 0.66 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL9259435 0.66 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL7981294 0.66 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP2D6HPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 ALDH1A1 1144/4885CYP1A2 1021/4885CYP2D6 3022/4885

“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.