SCHEMBL7689600

SCHEMBL7689600

N#Cc1c(Nc2ccccc2)nc2ccccc2c1S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.50
NPY5R Q15761 2/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ABCG2 Q9UNQ0 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM1A O60341 1/20 0.45
PDE5A O76074 3/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
DAPK3 O43293 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL20259096 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ENPY5RMEN1KMT2A
SCHEMBL7999933 0.76 MEN1 (0.51) ALDH1A1KDM4ENPY5RMEN1KMT2A
SCHEMBL7689595 0.76 KDM1A (0.57) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL7999931 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ENPY5RMEN1KMT2A
SCHEMBL20259103 0.74 ABCG2 (0.52) ALDH1A1KDM4ENPY5RMEN1KMT2A
SCHEMBL20240851 0.73 MEN1 (0.46) ALDH1A1KDM4ENPY5RMEN1KMT2A
SCHEMBL7845574 0.73 MEN1 (0.48) ALDH1A1KDM4ENPY5RMEN1KMT2A
SCHEMBL10135256 0.71 NPY5R (0.67) ALDH1A1KDM4ENPY5RMEN1KMT2A
SCHEMBL29056267 0.71 ABCG2 (0.69) ALDH1A1KDM4ENPY5RMEN1KMT2A
SCHEMBL11697505 0.70 NPY5R (0.66) ALDH1A1KDM4ENPY5RMEN1KMT2A

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-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 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 (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-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 ALDH1A1 4705/4885KDM4E 1875/4885NPY5R 970/4885

“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.