SCHEMBL4044196

SCHEMBL4044196

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.46
CDK1 P06493 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
MAPKAPK3 Q16644 1/20 0.45
MAPKAPK5 Q8IW41 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
ASIC3 Q9UHC3 1/20 0.45
PIM1 P11309 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
USP30 Q70CQ3 1/20 0.36
SMO Q99835 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 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
SCHEMBL4047124 0.88 TGFBR1 (0.40) TGFBR1CDK1MAPKAPK2MAPKAPK3MAPKAPK5
SCHEMBL4046223 0.79 ASIC3 (0.46) ASIC3POLBRAB9ASMOCYP1A2
SCHEMBL69802 0.79 SCN4A (0.45) CDK1POLBRAB9ACYP3A4GSK3A
SCHEMBL4053215 0.78 NISCH (0.42) POLBRAB9AGSK3B
SCHEMBL4050297 0.76 SCN4A (0.42) POLBRAB9ACYP1A2CYP3A4GSK3B
SCHEMBL21692157 0.75 ASIC3 (0.65) TGFBR1CDK1MAPKAPK2MAPKAPK3MAPKAPK5
SCHEMBL4044804 0.75 KMT2A (0.40) CDK1POLBRAB9ASMOGSK3B
SCHEMBL912763 0.73 ASIC3 (0.63) TGFBR1CDK1MAPKAPK2MAPKAPK3MAPKAPK5
SCHEMBL29578028 0.73 ASIC3 (0.63) TGFBR1CDK1MAPKAPK2MAPKAPK3MAPKAPK5
SCHEMBL4047215 0.73 CYP1A2 (0.40) PIM1POLBRAB9ACYP1A2CYP3A4

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 1025/4885CDK1 1537/4885MAPKAPK2 2813/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R TGFBR1 1242/4885CDK1 1454/4885MAPKAPK2 2567/4885

“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.