SCHEMBL9608639

SCHEMBL9608639

N=NC(=O)c1cc2ccccc2cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.46
PLAU P00749 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
PDPK1 O15530 1/20 0.41
DPP4 P27487 1/20 0.39
EGFR P00533 2/20 0.39
CHRNA7 P36544 1/20 0.39
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 1/20 0.37
MTOR P42345 1/20 0.37
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 2/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL2007702 0.79 EGLN1 (0.49) EGLN1PLAUCYP1A2CYP2A6PDPK1
SCHEMBL13616851 0.78 EGLN1 (0.43) EGLN1PLAUCYP1A2CYP2A6PDPK1
SCHEMBL2887227 0.77 EGLN1 (0.50) EGLN1PLAUCYP1A2CYP2A6PDPK1
SCHEMBL155043 0.77 EGLN1 (0.54) EGLN1CYP1A2CYP2A6PDPK1EGFR
SCHEMBL29746814 0.77 EGLN1 (0.54) EGLN1CYP1A2CYP2A6PDPK1EGFR
SCHEMBL29489052 0.77 EGLN1 (0.54) EGLN1CYP1A2CYP2A6PDPK1EGFR
Water SCHEMBL1201320 0.76 EGLN1 (0.53) EGLN1CYP1A2CYP2A6PDPK1EGFR
SCHEMBL2126619 0.76 CYP1A2 (0.50) EGLN1PLAUCYP1A2CYP2A6PDPK1
SCHEMBL29745031 0.76 LCK (0.53) EGLN1PLAUCYP1A2CYP2A6PDPK1
SCHEMBL30133777 0.76 CYP1A2 (0.50) EGLN1PLAUCYP1A2CYP2A6PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 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 (1 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 EGLN1 4270/4885PLAU 1311/4885CYP1A2 1639/4885

“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.