SCHEMBL16098014

SCHEMBL16098014

CC(NCc1cc(-c2ccccc2)nc2cc(Cl)ccc12)C(C)(C)N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.43
MAPK1 P28482 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
DHODH Q02127 1/20 0.39
ADORA1 P30542 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
EGFR P00533 1/20 0.37
DPP4 P27487 1/20 0.37
MOK Q9UQ07 1/20 0.37
ACP1 P24666 2/20 0.36
LTB4R Q15722 1/20 0.36

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
Hydrochloric Acid SCHEMBL16102339 0.99 TACR3 (0.43) TACR3MAPK1AURKAAURKBDHODH
Hydrochloric Acid SCHEMBL16101428 0.99 TACR3 (0.43) TACR3MAPK1AURKAAURKBDHODH
SCHEMBL16096585 0.80 TACR3 (0.48) TACR3MAPK1AURKAAURKBDHODH
Hydrochloric Acid SCHEMBL18093609 0.79 TACR3 (0.47) TACR3MAPK1AURKAAURKBDHODH
Hydrochloric Acid SCHEMBL16101609 0.79 TACR3 (0.47) TACR3MAPK1AURKAAURKBDHODH
SCHEMBL28246011 0.75 TACR3 (0.50) TACR3MAPK1DHODHESR1ESR2
Hydrochloric Acid SCHEMBL28245254 0.74 TACR3 (0.49) TACR3MAPK1DHODHESR1ESR2
Hydrochloric Acid SCHEMBL28245269 0.74 TACR3 (0.49) TACR3MAPK1DHODHESR1ESR2
SCHEMBL16098232 0.73 MAPK1 (0.54) MAPK1AURKAAURKBDHODHESR1
SCHEMBL16123733 0.71 MOK (0.53) TACR3MAPK1MOKACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US claimed
US-10179770-B2 Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA (FR) 2019-01-15 US disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
EP-2976333-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS Genoscience Pharma SAS (FR) 2016-01-27 EP disclosed
WO-2014147611-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2014-09-25 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 (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-10179770-B2 Quinolines derivatives as novel anticancer agents NQO2, MKI67, NQO1 TACR3 2340/4885MAPK1 1963/4885AURKA 127/4885
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS NQO2, MKI67, NQO1 TACR3 2340/4885MAPK1 1963/4885AURKA 127/4885

“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.