SCHEMBL4047124

SCHEMBL4047124

[c]1cc(-c2cc(-c3ccccc3)ccn2)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.40
ASIC3 Q9UHC3 1/20 0.38
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
MKNK1 Q9BUB5 2/20 0.36
CDK1 P06493 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
PLAU P00749 1/20 0.36
SMO Q99835 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PIM1 P11309 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4044196 0.88 TGFBR1 (0.46) TGFBR1ASIC3MKNK1CDK1MAPKAPK2
SCHEMBL4046223 0.79 ASIC3 (0.46) ASIC3SMOCYP1A2CYP2C9CYP2C19
SCHEMBL4044804 0.78 KMT2A (0.40) CDK1SMOPOLBRAB9AKDM4E
SCHEMBL1895492 0.76 KDM4E (0.48) CDK5CDK5R1CDK1CYP1A2POLB
SCHEMBL69802 0.75 SCN4A (0.45) CDK5CDK5R1CDK1CYP3A4POLB
SCHEMBL417290 0.75 ASIC3 (0.54) TGFBR1ASIC3PLAUSMOPIM1
Hydrochloric Acid SCHEMBL4868804 0.73 ASIC3 (0.52) TGFBR1ASIC3PLAUSMOPIM1
SCHEMBL912763 0.73 ASIC3 (0.63) TGFBR1ASIC3MKNK1CDK1MAPKAPK2
SCHEMBL4858632 0.73 ASIC3 (0.52) TGFBR1ASIC3PLAUSMOPIM1
SCHEMBL29578028 0.73 ASIC3 (0.63) TGFBR1ASIC3MKNK1CDK1MAPKAPK2

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 1025/4885ASIC3 2935/4885CDK5 1219/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R TGFBR1 1242/4885ASIC3 2996/4885CDK5 1077/4885

“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.