SCHEMBL422299

SCHEMBL422299

Cc1ccnc2sccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45
PIM1 P11309 1/20 0.45
FGFR1 P11362 1/20 0.45
PRKACA P17612 1/20 0.45

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
SCHEMBL966279 0.73 DYRK1A (0.55) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL22270837 0.73 CHEK1 (0.45) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL4157610 0.73 CHEK1 (0.45) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL31278844 0.73 CHEK1 (0.45) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL16539918 0.73 DYRK1A (0.45) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL3608593 0.73 CHEK1 (0.45) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL2919086 0.73 DYRK1A (0.45) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL18879036 0.72 CHEK1 (0.41) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL347011 0.72 MEN1 (0.47) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL10280663 0.72 LMNA (0.42) CHEK1AURKADAPK3JAK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116594-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海安诺达生物科技有限公司 2023-06-29 WO disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-3686196-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-05-16 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 US disclosed
WO-2017074992-A1 NOVEL PYRDAZINONE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-05-04 WO disclosed
WO-2009145357-A1 IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-03 WO disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20080139489-A1 USE OF KETOLIDES FOR PREVENTING ARTERIAL THROMBOTIC COMPLICATIONS RELATED TO ATHEROSCLEROSIS AVENTIS PHARMA S.A. (FR) 2008-06-12 US disclosed
US-20080139489-A1 USE OF KETOLIDES FOR PREVENTING ARTERIAL THROMBOTIC COMPLICATIONS RELATED TO ATHEROSCLEROSIS AVENTIS PHARMA S.A. (FR) 2008-06-12 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
WO-2006000085-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 WO disclosed
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
US-5663164-A CEPHALOSPORIN ANTIBIOTICS AS BACTERICIDES ROUSSEL UCLAF (FR) 1997-09-02 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 (8 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-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 CCR1 2794/4885CCR5 2924/4885CCR8 4753/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CCR1 1131/4885CCR5 1116/4885CCR8 2481/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 CCR1 2794/4885CCR5 2924/4885CCR8 4753/4885
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 CCR1 814/4885CCR5 881/4885CCR8 1473/4885
US-20080139489-A1 USE OF KETOLIDES FOR PREVENTING ARTERIAL THROMBOTIC COMPLICATIONS RELATED TO ATHEROSCLEROSIS PCSK9, KHK, PCSK7 CCR1 901/4885CCR5 917/4885CCR8 2210/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 CCR1 2794/4885CCR5 2924/4885CCR8 4753/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 CCR1 464/4885CCR5 743/4885CCR8 432/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 CCR1 1977/4885CCR5 1838/4885CCR8 2665/4885

“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.