SCHEMBL4044973

SCHEMBL4044973

[c]1c[nH]c(-c2ccnc(-c3ccccc3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.45
TGFBR1 P36897 2/20 0.43
PIM1 P11309 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CDK1 P06493 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
NPY5R Q15761 1/20 0.36
USP30 Q70CQ3 1/20 0.36
MTOR P42345 1/20 0.36
ADK P55263 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
SMO Q99835 2/20 0.35
FHIT P49789 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL4050231 0.88 CYP1A2 (0.40) ASIC3TGFBR1PIM1CYP1A2CYP3A4
SCHEMBL4048566 0.79 ASIC3 (0.46) ASIC3CYP1A2SMOMIF
SCHEMBL403894 0.79 MTOR (0.43) CYP1A2CYP3A4NPY5RMTORADK
SCHEMBL4046324 0.78 KMO (0.40) CYP1A2CYP3A4NISCHHTR1AHTR7
SCHEMBL4048180 0.76 TGFBR1 (0.47) ASIC3TGFBR1PIM1CYP1A2CYP3A4
SCHEMBL4041670 0.76 MTOR (0.41) CYP1A2CYP3A4NPY5RMTORADK
SCHEMBL21692157 0.75 ASIC3 (0.65) ASIC3TGFBR1PIM1CDK1MAPKAPK2
SCHEMBL4044219 0.75 KMT2A (0.43) MTORADKNISCHSMO
SCHEMBL29578028 0.73 ASIC3 (0.63) ASIC3TGFBR1PIM1CDK1MAPKAPK2
SCHEMBL912763 0.73 ASIC3 (0.63) ASIC3TGFBR1PIM1CDK1MAPKAPK2

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 ASIC3 2935/4885TGFBR1 1025/4885PIM1 3522/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R ASIC3 2996/4885TGFBR1 1242/4885PIM1 3350/4885

“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.