SCHEMBL516343

SCHEMBL516343

Cc1ccnc2c(Br)cccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.61
COPS5 Q92905 2/20 0.61
CCR1 P32246 3/20 0.59
CCR8 P51685 3/20 0.59
CCR5 P51681 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.50
HTT P42858 3/20 0.47
SLC6A2 P23975 1/20 0.47
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSP90AA1 P07900 2/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL1035878 0.84 HTT (0.61) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL2607397 0.81 PSMD14 (0.68) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL13484093 0.78 CCR1 (0.68) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL1195473 0.76 KDM4E (0.46) PSMD14COPS5L3MBTL1HTTSLC6A2
SCHEMBL3271557 0.76 PSMD14 (0.61) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL1187430 0.76 HTT (0.72) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL3630037 0.76 KDM4E (0.53) CCR1CCR8L3MBTL1HTTSLC6A2
SCHEMBL4013888 0.76 HTR1A (0.56) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL21033695 0.76 PSMD14 (0.61) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL440408 0.76 NR4A2 (0.61) HTTALDH1A1HSP90AA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-108771681-B Co-crystals of compounds and deuterated derivatives thereof as DNA-PK inhibitors 沃泰克斯药物股份有限公司 2021-06-15 CN disclosed
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 US disclosed
WO-2021023813-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2021-02-11 WO disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 EP disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 EP disclosed
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 CN disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US disclosed
CN-101120011-A Macrolides PFIZER PROD INC (US) 2008-02-06 CN disclosed
EP-1836211-A1 MACROLIDES Pfizer Products Incorporated (US) 2007-09-26 EP disclosed
WO-2006067589-A1 MACROLIDES PFIZER PRODUCTS INC. (US) 2006-06-29 WO disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 US 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 (7 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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PSMD14 4609/4885COPS5 1854/4885CCR1 2597/4885
US-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 PSMD14 2531/4885COPS5 2054/4885CCR1 1678/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK PSMD14 4232/4885COPS5 4316/4885CCR1 2529/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PSMD14 4609/4885COPS5 1854/4885CCR1 2597/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB PSMD14 4609/4885COPS5 1854/4885CCR1 2597/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PSMD14 4232/4885COPS5 4316/4885CCR1 2529/4885
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS NPFFR2, NPFFR1, OPRL1 PSMD14 2624/4885COPS5 2053/4885CCR1 2083/4885

“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.