SCHEMBL13622759

SCHEMBL13622759

Cc1ccc2c(O)cc(=O)[nH]c2n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 1/20 0.57
ADORA1 P30542 8/20 0.48
ADORA2A P29274 7/20 0.48
SHMT2 P34897 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
SCHEMBL11591796 0.79 ADORA1 (0.53) KDM4EKMT2AADORA1ADORA2ASHMT2
SCHEMBL29110299 0.76 ALDH1A1 (0.41) KDM4EKMT2ASHMT2
SCHEMBL30611217 0.76 ALDH1A1 (0.41) KDM4EKMT2ASHMT2
SCHEMBL13348756 0.72 KDM4E (0.43) KDM4EKMT2ASHMT2
SCHEMBL11591322 0.72 KDM4E (0.53) KDM4EKMT2A
SCHEMBL3320128 0.71 KDM4E (0.64) KDM4EKMT2AADORA1ADORA2A
SCHEMBL2965562 0.71 ADORA1 (0.70) ADORA1ADORA2A
SCHEMBL1227438 0.71 KMT2A (0.40) KDM4EKMT2ASHMT2
SCHEMBL30575356 0.70 ALDH1A1 (0.53) KDM4EADORA1ADORA2A
SCHEMBL2294638 0.70 ALDH1A1 (0.53) KDM4EADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 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 (2 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-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR52 KDM4E 2241/4885KMT2A 1498/4885ADORA1 220/4885
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 KDM4E 2834/4885KMT2A 2079/4885ADORA1 191/4885

“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.