SCHEMBL6463317

SCHEMBL6463317

Clc1ccnc2cc(OCCCN3CCOCC3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.58
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SIGMAR1 Q99720 4/20 0.56
SRC P12931 2/20 0.55
KDR P35968 1/20 0.55
HRH3 Q9Y5N1 4/20 0.53
MAPK1 P28482 2/20 0.53
CYP1A2 P05177 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
HTR2A P28223 1/20 0.53
SCN1A P35498 1/20 0.53
HTR2B P41595 1/20 0.53
KCNH2 Q12809 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
NPC1 O15118 1/20 0.53
MET P08581 1/20 0.53
FGFR1 P11362 1/20 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
SCHEMBL14495853 0.94 KDM4E (0.64) GRM4ALDH1A1KDM4ESIGMAR1SRC
SCHEMBL30499279 0.94 KDM4E (0.64) GRM4ALDH1A1KDM4ESIGMAR1SRC
SCHEMBL27006796 0.87 HRH3 (0.54) ALDH1A1KDM4ESIGMAR1HRH3CHRM1
SCHEMBL4506955 0.83 SRC (0.59) GRM4ALDH1A1KDM4ESIGMAR1SRC
Hydrochloric Acid SCHEMBL7865977 0.82 SRC (0.58) GRM4ALDH1A1KDM4ESIGMAR1SRC
SCHEMBL18256940 0.82 SIGMAR1 (0.50) GRM4ALDH1A1KDM4ESIGMAR1SRC
SCHEMBL2700790 0.82 HRH3 (0.49) GRM4ALDH1A1KDM4ESIGMAR1SRC
SCHEMBL25131312 0.81 KDM4E (0.56) GRM4ALDH1A1KDM4ESIGMAR1HRH3
SCHEMBL30499299 0.81 KDM4E (0.56) GRM4ALDH1A1KDM4ESIGMAR1HRH3
SCHEMBL15260249 0.80 ALDH1A1 (0.57) ALDH1A1KDM4ESIGMAR1HRH3MAPK1

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-6977259-B2 Quinoline derivatives and their use as aurora 2 kinase inhibitors ASTRAZENECA AB (SE) 2005-12-20 US disclosed
US-20030105129-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-06-05 US disclosed
EP-1294709-A2 QUINOLINE DERIVATIVES AND THEIR USE AS AURORA 2 KINASE INHIBITORS AstraZeneca AB (SE) 2003-03-26 EP disclosed
WO-2001055116-A2 QUINOLINE DERIVATIVES AND THEIR USE AS AURORA 2 KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-02 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-20030105129-A1 Chemical compounds AURKC, AURKA, AURKB GRM4 4395/4885ALDH1A1 2111/4885KDM4E 1381/4885

“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.