SCHEMBL4052774

SCHEMBL4052774

Fc1ccc(F)c(-c2cc3[nH][c]nn3n2)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
GRM5 P41594 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
SCHEMBL4052401 0.90 ALPL (0.35) TGFBR1CYP3A4CYP2C8GRM5
SCHEMBL4052659 0.85 ADORA3 (0.39) TGFBR1CYP3A4
SCHEMBL4045189 0.81 MEN1 (0.39)
SCHEMBL4049910 0.78 GRM5 (0.34) GRM5
SCHEMBL4046588 0.76 NISCH (0.32)
SCHEMBL4045655 0.74 JAK2 (0.40) CYP3A4
SCHEMBL4047454 0.73 IDO1 (0.39) CYP3A4
SCHEMBL4047366 0.72 CYP1A2 (0.39) TGFBR1CYP3A4
SCHEMBL4051538 0.69 RAD51 (0.39) GRM5
SCHEMBL2751962 0.67 TGFBR1 (0.33) TGFBR1CYP3A4CYP2C8GRM5

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 TGFBR1 1025/4885CYP3A4 547/4885CYP2C8 717/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R TGFBR1 1242/4885CYP3A4 601/4885CYP2C8 790/4885

“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.