SCHEMBL2820360

SCHEMBL2820360

O=c1ccc2ccc(F)c(Br)c2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA9 Q16790 5/20 0.58
HCAR1 Q9BXC0 4/20 0.36
CA1 P00915 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
F11 P03951 1/20 0.36
TNF P01375 1/20 0.33
RIPK1 Q13546 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
AKR1B1 P15121 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29496155 0.79 CA12 (0.49) CA12CA9HCAR1CA1CA3
SCHEMBL705402 0.79 CA12 (0.62) CA12CA9HCAR1CA1CA3
SCHEMBL3430465 0.78 CA12 (0.60) CA12CA9CA1CA3CA4
SCHEMBL2819163 0.76 CA12 (0.58) CA12CA9HCAR1CA1CA3
SCHEMBL29496045 0.76 CA12 (0.58) CA12CA9HCAR1CA1CA3
SCHEMBL4178782 0.73 CA12 (1.00) CA12CA9HCAR1CA1CA3
SCHEMBL29496087 0.73 CA12 (0.42) CA12CA9HCAR1PDE3BPDE3A
SCHEMBL29344087 0.73 CA12 (0.42) CA12CA9HCAR1PDE3BPDE3A
SCHEMBL2171366 0.73 CA12 (0.55) CA12CA9HCAR1CA1CA3
SCHEMBL4573974 0.72 CA12 (0.58) CA12CA9CA1CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205281-B Heterocyclic compounds and their use 阮富强 2022-12-27 CN disclosed
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-09-22 US disclosed
EP-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 EP disclosed
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 CN disclosed
WO-2021023813-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2021-02-11 WO disclosed
CN-111205281-A Heterocyclic compounds and their use 阮富强 2020-05-29 CN disclosed
US-10442799-B1 Heterocyclic compounds and uses thereof RUAN FUQIANG (US) 2019-10-15 US disclosed
US-20190308963-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF RUAN FUQIANG (US) 2019-10-10 US disclosed
US-RE47047-E1 5-[(3,3,3-trifluoro-2-hydroxy-1-arylpropyl)amino]-1H-quinolin-2-ones, a process for their production and their use as anti-inflammatory agents ASTRAZENECA AB (SE) 2018-09-18 US disclosed
EP-3331861-A1 PROCESS FOR THE PREPARATION OF 5-AMINO-QUINOLIN-2(1H)-ONES AND THEIR TAUTOMER FORMS 5-AMINO-QUINOLIN-2-OLS Bayer Pharma Aktiengesellschaft (DE) 2018-06-13 EP disclosed
EP-2062880-A1 5-[(3,3,3-Trifluoro-2-hydroxy-1-arylpropyl)amino]-1H-quinolin-2-ones, a process for their production and their use as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-27 EP disclosed
EP-2041145-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE Glaxo Group Limited (GB) 2009-04-01 EP disclosed
EP-2029612-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008003690-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2008-01-10 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 (3 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-20190308963-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRD4, BICRA, BET1 CA12 4818/4885CA9 4518/4885HCAR1 1028/4885
US-10442799-B1 Heterocyclic compounds and uses thereof BRD4, BICRA, BET1 CA12 4818/4885CA9 4518/4885HCAR1 1028/4885
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS NPFFR2, NPFFR1, OPRL1 CA12 4882/4885CA9 4873/4885HCAR1 424/4885

“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.