SCHEMBL6071828

SCHEMBL6071828

N#Cc1c(Cn2ccnn2)nc2ccccc2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 3/20 0.42
GLA P06280 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL6071833 0.81 CYP19A1 (0.46) CYP19A1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7842311 0.81 KDM1A (0.46) CYP19A1KDM4EALDH1A1POLBMAPT
SCHEMBL6072067 0.74 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL7842318 0.72 MEN1 (0.47) CYP19A1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6252164 0.72 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL9791332 0.68 ADORA1 (0.62) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL6071415 0.68 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL18459144 0.67 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL6071634 0.67 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL6071875 0.67 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDGAA

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 CYP19A1 2539/4885KDM4E 1032/4885ALDH1A1 3975/4885

“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.