SCHEMBL6072029

SCHEMBL6072029

N#Cc1cc2ccccc2nc1NCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.61
TSHR P16473 4/20 0.61
KDM4E B2RXH2 3/20 0.57
GAA P10253 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
ALDH1A1 P00352 7/20 0.56
CYP1A2 P05177 5/20 0.56
CYP3A4 P08684 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 3/20 0.56
THRB P10828 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HSD17B10 Q99714 3/20 0.54
CLK4 Q9HAZ1 3/20 0.54
MAPK1 P28482 3/20 0.54
CYP2C9 P11712 2/20 0.54
USP2 O75604 1/20 0.54
CYP2C19 P33261 3/20 0.53

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
SCHEMBL27730106 0.90 PGK1 (0.61) PGK1TSHRKDM4EGAANPSR1
SCHEMBL7695830 0.79 PGK1 (0.64) PGK1TSHRKDM4EGAANPSR1
SCHEMBL9849458 0.78 PDE4A (0.57) PGK1TSHRKDM4EGAANPSR1
SCHEMBL6071694 0.78 KDM4E (0.49) KDM4EGAANPSR1RXFP1ALDH1A1
SCHEMBL28255594 0.76 PDE4A (0.57) PGK1TSHRKDM4EGAAALDH1A1
SCHEMBL1291735 0.76 PGK1 (1.00) PGK1ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL29313542 0.75 ALDH1A1 (0.54) PGK1TSHRKDM4EALDH1A1CYP1A2
SCHEMBL15358495 0.75 ALDH1A1 (0.56) PGK1TSHRKDM4EALDH1A1CYP1A2
SCHEMBL27728206 0.73 PGK1 (0.52) PGK1KDM4EGAANPSR1RXFP1
SCHEMBL30804565 0.72 TSHR (0.55) TSHRKDM4EGAAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 PGK1 240/4885TSHR 1678/4885KDM4E 1032/4885

“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.