SCHEMBL7094516

SCHEMBL7094516

Cc1c(C#N)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ADORA1 P30542 11/20 0.53
ADORA2A P29274 8/20 0.53
TSHR P16473 1/20 0.50
PDE10A Q9Y233 1/20 0.50
ADORA2B P29275 1/20 0.50
DHODH Q02127 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL3970610 0.81 ALDH1A1 (0.60) ALDH1A1KDM4EADORA1ADORA2APDE10A
SCHEMBL9791332 0.80 ADORA1 (0.62) ALDH1A1KDM4EADORA1ADORA2ATSHR
SCHEMBL13063625 0.78 PDE10A (0.64) ALDH1A1KDM4EADORA2ATSHRPDE10A
SCHEMBL7915032 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EADORA1ADORA2ATSHR
SCHEMBL4744765 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EADORA2AMEN1KMT2A
SCHEMBL2639136 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EADORA1ADORA2APDE10A
SCHEMBL6253855 0.78 KDM4E (0.56) ALDH1A1KDM4EADORA1ADORA2ATSHR
SCHEMBL4704726 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EADORA1ADORA2AMEN1
SCHEMBL30315435 0.78 KDM4E (0.56) ALDH1A1KDM4EADORA1ADORA2ATSHR
SCHEMBL8136134 0.77 ALDH1A1 (0.55) ALDH1A1KDM4E

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
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 claimed
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
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
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO 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 1875/4885ADORA1 1296/4885

“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.