SCHEMBL10280779

SCHEMBL10280779

O=CNc1ccn(Cc2ccccc2O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
CACNA1G O43497 3/20 0.41
CACNA1I Q9P0X4 3/20 0.41
CACNA1H O95180 2/20 0.41
MPO P05164 2/20 0.41
CA12 O43570 5/20 0.40
CA2 P00918 5/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CA9 Q16790 4/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL10241140 0.79 CACNA1I (0.51) TSHRCACNA1GCACNA1ICACNA1HLMNA
SCHEMBL7895013 0.79 CACNA1G (0.49) CACNA1GCACNA1ICACNA1HLMNASMN1; SMN2
SCHEMBL759248 0.73 STIM1 (0.66) TSHRCACNA1GCACNA1ILMNASMN1; SMN2
SCHEMBL27765530 0.72 EPHX2 (0.43) TSHRCYP2D6CACNA1GCACNA1ICACNA1H
SCHEMBL28304418 0.68 KDM4E (0.35) CYP2D6CACNA1GCACNA1ICACNA1HALDH1A1
SCHEMBL4990040 0.66 TSHR (0.65) TSHRCYP2D6HIF1AMPOCA12
SCHEMBL561363 0.65 NPC1 (0.46) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10917974 0.65 BRD4 (0.56) TSHRCYP2D6HIF1AMPOCA12
SCHEMBL2113322 0.64 MAPT (0.58) TSHRCACNA1GCACNA1ICACNA1HLMNA
SCHEMBL3439966 0.64 CACNA1G (0.50) TSHRCACNA1GCACNA1ICACNA1HLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E TSHR 3152/4885CYP2D6 3303/4885HIF1A 1334/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 TSHR 4136/4885CYP2D6 164/4885HIF1A 1331/4885

“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.