SCHEMBL4046860

SCHEMBL4046860

Fc1cccc(-c2c[nH][c]n2)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.33
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CCR1 P32246 1/20 0.30
CCR8 P51685 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
SCHEMBL2333430 0.77 CCR1 (0.46) PIM1PIM3PIM2CCR1CCR8
SCHEMBL4046965 0.76 MEN1 (0.57) PIM1PIM3PIM2CCR1CCR8
SCHEMBL15624381 0.75 CCR1 (0.46) PIM1PIM3PIM2CCR1CCR8
SCHEMBL2093090 0.69 IDO1 (0.49) PIM1
SCHEMBL4045966 0.68 IDO1 (0.46)
SCHEMBL4043829 0.66 NPC1 (0.43)
SCHEMBL63014 0.66 RAB9A (0.41)
SCHEMBL12446429 0.66 CYP3A4 (0.40) CCR1CCR8
SCHEMBL4049706 0.66 PIM1 (0.33) PIM1PIM3PIM2
SCHEMBL4719196 0.66 KDM4E (0.41)

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 PIM1 3522/4885PIM3 3918/4885PIM2 3842/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R PIM1 3350/4885PIM3 3793/4885PIM2 3697/4885

“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.