SCHEMBL14780283

SCHEMBL14780283

O=C1CCc2cc(Br)c(F)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.46
KIF11 P52732 5/20 0.45
PKM P14618 10/20 0.44
NPC1 O15118 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CMA1 P23946 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL18112918 0.93 CA9 (0.46) CA9KIF11PKMNPC1MAPK13
SCHEMBL4104017 0.85 CA9 (0.52) CA9KIF11PKMNPC1MAPK13
SCHEMBL4297332 0.84 AHR (0.53) KIF11MAOBCMA1AHR
SCHEMBL21155476 0.83 MAPT (0.46) CA9KIF11PKMNPC1LMNA
SCHEMBL14778943 0.79 PKM (0.50) CA9KIF11PKMNPC1MAPK13
SCHEMBL13727356 0.79 CYP1A2 (0.37) KIF11
SCHEMBL12559679 0.79 PKM (0.53) CA9PKMNPC1MAPK13MAPK12
SCHEMBL21646067 0.79 CA9 (0.54) CA9KIF11PKMNPC1MAPK13
SCHEMBL4104826 0.79 PKM (0.56) CA9KIF11PKMNPC1MAPK13
SCHEMBL1744876 0.79 CA9 (0.54) CA9KIF11PKMNPC1MAPK13

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867556-B LPA receptor antagonists and uses thereof 吉利德科学公司 2025-05-06 CN disclosed
EP-3653618-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-01-08 EP disclosed
US-12139474-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-11-12 US disclosed
US-20240002367-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-04 US disclosed
US-11702407-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11702407-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11702407-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 EP disclosed
WO-2014090692-A1 NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-06-19 WO disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 US disclosed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 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 (6 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-11702407-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 CA9 4703/4885KIF11 3320/4885PKM 2306/4885
US-12139474-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 CA9 4657/4885KIF11 3264/4885PKM 2280/4885
US-20240002367-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 CA9 4657/4885KIF11 3264/4885PKM 2280/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 CA9 231/4885KIF11 3560/4885PKM 157/4885
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 CA9 3017/4885KIF11 1976/4885PKM 2594/4885
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, HSD11B1 CA9 652/4885KIF11 4340/4885PKM 1389/4885

“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.