SCHEMBL4044671

SCHEMBL4044671

Fc1ccc(-c2c[nH][c]n2)nc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
GRM5 P41594 5/20 0.36
TGFBR1 P36897 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK14 Q16539 1/20 0.32
NPC1 O15118 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL811754 0.77 GRM5 (0.47) MAPTGRM5TGFBR1CYP1A2MAPK14
SCHEMBL4046110 0.75 RAB9A (0.37) MAPTNPC1
SCHEMBL5226125 0.69 MAPT (0.42) MAPTGRM5TGFBR1CYP1A2MAPK14
SCHEMBL4044625 0.69 ALPL (0.42) TGFBR1CYP1A2NPC1
SCHEMBL4044388 0.69 TGFBR1 (0.33) MAPTTGFBR1
Hydrochloric Acid SCHEMBL27572588 0.68 MAPT (0.41) MAPTGRM5TGFBR1CYP1A2MAPK14
SCHEMBL4049332 0.68 NPC1 (0.45) CYP1A2NPC1
SCHEMBL4049874 0.67 NOTUM (0.34)
SCHEMBL4046860 0.67 PIM1 (0.33) CCR1CCR8
SCHEMBL15624380 0.66 CCR1 (0.48) MAPTGRM5TGFBR1CYP1A2MAPK14

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 MAPT 1533/4885GRM5 146/4885TGFBR1 1025/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MAPT 1475/4885GRM5 135/4885TGFBR1 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.