SCHEMBL4049910

SCHEMBL4049910

Fc1ccc(-c2cc3[nH][c]nn3n2)nc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.34
KCNH2 Q12809 1/20 0.34
CYP1A2 P05177 1/20 0.33
CSNK1D P48730 4/20 0.32
MAPK14 Q16539 3/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4045189 0.80 MEN1 (0.39) MAPT
SCHEMBL4052774 0.78 TGFBR1 (0.31) GRM5
SCHEMBL4052401 0.77 ALPL (0.35) GRM5CYP1A2
SCHEMBL4045655 0.75 JAK2 (0.40) MAPK14MAPT
SCHEMBL4046588 0.75 NISCH (0.32)
SCHEMBL811754 0.69 GRM5 (0.47) GRM5CYP1A2MAPK14MAPT
SCHEMBL4051538 0.68 RAD51 (0.39) GRM5MAPT
SCHEMBL4047366 0.66 CYP1A2 (0.39) CYP1A2
SCHEMBL22756715 0.65 ALDH1A1 (0.50) GRM5CYP1A2CSNK1DMAPK14MAPT
SCHEMBL25407644 0.64 CSNK1D (0.40) GRM5KCNH2CSNK1DMAPK14MAPT

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 GRM5 146/4885KCNH2 1989/4885CYP1A2 333/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R GRM5 135/4885KCNH2 1831/4885CYP1A2 335/4885

“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.