SCHEMBL4500702

SCHEMBL4500702

CNc1ccnc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.63
ADRA1D P25100 2/20 0.63
ADRA1A P35348 2/20 0.63
ADRA1B P35368 2/20 0.63
FERMT2 Q96AC1 1/20 0.56
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
RIPK2 O43353 2/20 0.51
FADS1 O60427 1/20 0.50
EGFR P00533 1/20 0.50
GAK O14976 1/20 0.50
COQ8A Q8NI60 1/20 0.50
NLK Q9UBE8 1/20 0.50
NCF1 P14598 1/20 0.50
ERBB2 P04626 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47

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
Hydrochloric Acid SCHEMBL29043209 0.98 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
Hydrochloric Acid SCHEMBL1208911 0.98 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2736333 0.86 MEN1 (0.62) HTR1AADRA1DADRA1AADRA1BHTT
SCHEMBL6752938 0.83 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL12217976 0.82 HTT (0.68) HTR1AADRA1DADRA1AADRA1BHTT
SCHEMBL248690 0.79 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9902520 0.79 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL27293401 0.79 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL27943481 0.79 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL6234032 0.79 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303537-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
US-20210395220-A1 QUINONE REDUCTASE 2 INHIBITOR COMPOUNDS AND USES THEREOF UNITED STATES GOVERNMENT 2021-12-23 US disclosed
EP-3760633-B1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2021-12-15 EP disclosed
WO-2021226517-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021226458-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021226477-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
CN-101443313-A Quinoline derivatives and their use as pesticides BASF SE (DE) 2009-05-27 CN disclosed
US-20090029855-A1 Quinoline Derivatives and Their Use as Pesticides BASF SE (DE) 2009-01-29 US disclosed
EP-2007727-A1 QUINOLINE DERIVATIVES AND THEIR USE AS PESTICIDES BASF SE (DE) 2008-12-31 EP disclosed
US-7442554-B2 Compositions and methods involving glucocorticoid receptor site II BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-28 US disclosed
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2007104726-A1 QUINOLINE DERIVATIVES AND THEIR USE AS PESTICIDES BASF SE (DE) 2007-09-20 WO disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
CN-1042335-C 1-acylpiperidine compounds NORVATIS AG (CH) 1999-03-03 CN disclosed
CN-1089261-A The 1-acylpiperidine compounds CIBA GEIGY AG (CH) 1994-07-13 CN 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 (5 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-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS HTR1A 4489/4885ADRA1D 4791/4885ADRA1A 4660/4885
US-20210395220-A1 QUINONE REDUCTASE 2 INHIBITOR COMPOUNDS AND USES THEREOF NQO1, SQOR, NQO2 HTR1A 4178/4885ADRA1D 2505/4885ADRA1A 2216/4885
US-20230303537-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF NPM1, NFE2L2, MNS1 HTR1A 2207/4885ADRA1D 4228/4885ADRA1A 4195/4885
US-20090029855-A1 Quinoline Derivatives and Their Use as Pesticides CBR3, HCRTR1, HCAR3 HTR1A 1164/4885ADRA1D 849/4885ADRA1A 754/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HTR1A 3934/4885ADRA1D 1229/4885ADRA1A 555/4885

“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.