SCHEMBL6501965

SCHEMBL6501965

COC(=O)c1ccc2nc(C)n(Cc3ncc(C(F)(F)F)cc3Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6502748 0.89 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19NPSR1
SCHEMBL6491659 0.87 MRGPRX4 (0.39) SMN1; SMN2KMT2AL3MBTL1LMNAMAPT
SCHEMBL6491895 0.86 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19NPSR1
SCHEMBL6501497 0.85 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19NPSR1
SCHEMBL6299017 0.85 MRGPRX4 (0.39) CYP3A4CYP2D6CYP2C19SMN1; SMN2CYP2C9
Hydrochloric Acid SCHEMBL6492659 0.85 NQO2 (0.38) SMN1; SMN2MEN1KMT2AL3MBTL1LMNA
SCHEMBL6135527 0.82 KMT2A (0.46) CYP1A2CYP3A4CYP2D6CYP2C19NPSR1
SCHEMBL6500785 0.81 NPC1 (0.38) SMN1; SMN2L3MBTL1LMNAALDH1A1RAB9A
SCHEMBL6501157 0.81 ALDH1A1 (0.39) NPSR1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL6500771 0.81 PPARG (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A CYP1A2 1033/4885CYP3A4 1384/4885CYP2D6 1009/4885

“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.