SCHEMBL4044838

SCHEMBL4044838

Fc1ccc(-c2c[c]n[nH]2)nc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
TGFBR1 P36897 2/20 0.34
MAPK14 Q16539 1/20 0.34
MAPT P10636 1/20 0.33
GRM5 P41594 2/20 0.32
NPC1 O15118 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL4046043 0.71 KMT2A (0.51) MAPTNPC1
SCHEMBL811754 0.71 GRM5 (0.47) TGFBR1MAPK14MAPTGRM5NPC1
SCHEMBL9977744 0.70 CYP4F2 (0.61) CYP4F2CYP4A11
SCHEMBL1895492 0.70 KDM4E (0.48) MAPTNPC1
Hydrochloric Acid SCHEMBL15327060 0.69 CYP4F2 (0.60) CYP4F2CYP4A11
SCHEMBL23416941 0.68 KDR (0.43) CYP4F2CYP4A11TGFBR1MAPK14MAPT
SCHEMBL4051821 0.68 TGFBR1 (0.34) CYP4F2CYP4A11TGFBR1MAPK14MAPT
SCHEMBL4051540 0.68 ALPL (0.37)
SCHEMBL3835184 0.66 NPC1 (0.44) MAPK14GRM5NPC1RXFP1
SCHEMBL4045819 0.66 NOTUM (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 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 (2 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R CYP4F2 305/4885CYP4A11 336/4885TGFBR1 1025/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R CYP4F2 344/4885CYP4A11 338/4885TGFBR1 1242/4885

“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.