SCHEMBL2856089

SCHEMBL2856089

Cc1c(C(=O)NCc2ccccc2)cnn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 1.00
EED O75530 1/20 0.64
RBBP4 Q09028 1/20 0.64
SUZ12 Q15022 1/20 0.64
EZH2 Q15910 1/20 0.64
AEBP2 Q6ZN18 1/20 0.64
NPC1 O15118 8/20 0.62
RAB9A P51151 8/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
FPR1 P21462 1/20 0.62
POLB P06746 1/20 0.62
CCR1 P32246 5/20 0.61
MAPK1 P28482 1/20 0.61
PKM P14618 2/20 0.61
MAPK11 Q15759 2/20 0.61
MAPK14 Q16539 2/20 0.61
MEN1 O00255 1/20 0.58

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
SCHEMBL2854347 0.91 HPGD (0.84) HPGDNPC1RAB9ACCR1MEN1
SCHEMBL2854061 0.91 HPGD (0.84) HPGDEEDRBBP4SUZ12EZH2
SCHEMBL2850617 0.91 HPGD (0.84) HPGDEEDRBBP4SUZ12EZH2
SCHEMBL2857166 0.89 HPGD (0.80) HPGDEEDRBBP4SUZ12EZH2
SCHEMBL2857896 0.87 HPGD (0.77) HPGDEEDRBBP4SUZ12EZH2
SCHEMBL2605692 0.86 HPGD (0.76) HPGDEEDRBBP4SUZ12EZH2
SCHEMBL2856450 0.86 HPGD (0.74) HPGDEEDRBBP4SUZ12EZH2
SCHEMBL2850143 0.85 CCR1 (0.85) HPGDNPC1RAB9APOLBCCR1
SCHEMBL2854119 0.85 HPGD (0.73) HPGDEEDRBBP4SUZ12EZH2
SCHEMBL10367090 0.84 HPGD (0.72) HPGDNPC1RAB9ANFKB1NFKB2

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
US-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF Université de Montréal (CA) 2016-07-28 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 HPGD 1358/4885EED 3890/4885RBBP4 4038/4885
US-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF FBL, HNRNPA1, HNRNPUL1 HPGD 4613/4885EED 2518/4885RBBP4 515/4885

“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.