SCHEMBL488379

SCHEMBL488379

Fc1cccc(CBr)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
P2RX7 Q99572 2/20 0.37
TAAR1 Q96RJ0 1/20 0.34
TRPA1 O75762 1/20 0.33
IDO1 P14902 2/20 0.32
CMA1 P23946 3/20 0.32
HCAR1 Q9BXC0 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL27822203 0.84 SLC6A4 (0.40) SLC6A4SLC6A2CYP2D6KCNH2P2RX7
SCHEMBL144963 0.79 IDO1 (0.41) SLC6A4SLC6A2P2RX7IDO1PTGS2
SCHEMBL29452402 0.79 HCAR1 (0.34) TAAR1IDO1HCAR1
SCHEMBL27378816 0.79 HCAR1 (0.34) TAAR1IDO1HCAR1
SCHEMBL3166443 0.79 TAAR1 (0.43) SLC6A4SLC6A2CYP2D6KCNH2P2RX7
SCHEMBL488739 0.79 PDK2 (0.41) SLC6A4SLC6A2CYP2D6KCNH2P2RX7
SCHEMBL16701725 0.79 SLC6A4 (0.39) SLC6A4SLC6A2CYP2D6KCNH2P2RX7
SCHEMBL7230776 0.79 P2RX7 (0.40) SLC6A4SLC6A2CYP2D6KCNH2P2RX7
SCHEMBL19356887 0.79 SLC6A4 (0.39) SLC6A4SLC6A2CYP2D6KCNH2P2RX7
SCHEMBL12900215 0.79 GABRA1 (0.46) SLC6A4SLC6A2CYP2D6KCNH2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
CN-106983751-B Bicyclic substituted uracils and their use 拜耳医药股份有限公司 2020-01-07 CN disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-13 US disclosed
US-9949978-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949977-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed
EP-3045456-B1 BICYCLIC SUBSTITUTED URACILS AND THEIR USE Bayer Pharma AG (DE) 2017-10-25 EP disclosed
US-9751843-B2 Substituted uracils and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-05 US disclosed
CN-106983751-A Two ring substituted uracils and application thereof 拜耳医药股份有限公司 2017-07-28 CN disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 US disclosed
WO-2007065093-A2 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION (US) 2007-06-07 WO disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US disclosed
US-20060178515-A1 Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2006-08-10 US disclosed
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 CN disclosed
CN-1764647-A Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-04-26 CN disclosed
EP-1611104-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-01-04 EP disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 US disclosed
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. 2005-01-13 US disclosed
WO-2004085403-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-10-07 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-20060178515-A1 Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists HCRTR2, HCRTR1, OXTR SLC6A4 651/4885SLC6A2 587/4885CYP2D6 1347/4885
US-10300062-B2 Bicyclically substituted uracils and the use thereof UNG, UMPS, TYMP SLC6A4 2515/4885SLC6A2 1993/4885CYP2D6 598/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP SLC6A4 2515/4885SLC6A2 1993/4885CYP2D6 598/4885
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer MET, ERBB2, CDK4 SLC6A4 4263/4885SLC6A2 4613/4885CYP2D6 1433/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 SLC6A4 3627/4885SLC6A2 4530/4885CYP2D6 2334/4885
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP SLC6A4 2515/4885SLC6A2 1993/4885CYP2D6 598/4885

“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.