SCHEMBL9909702

SCHEMBL9909702

CSc1cc(C(C)C)ccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.39
TRPA1 O75762 2/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
RNASEH1 O60930 1/20 0.34
TYR P14679 3/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
FABP3 P05413 2/20 0.32
FABP4 P15090 2/20 0.32

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
SCHEMBL12248238 0.83 ALOX12 (0.41) CRHR1ALDH1A1ALOX12HTTGAA
SCHEMBL23902040 0.81 ALDH1A1 (0.39) CRHR1ALDH1A1ALOX12HTTGAA
SCHEMBL15035948 0.80 LMNA (0.54) ALOX12GAALMNATRPA1CHRM1
SCHEMBL23901705 0.79 ALDH1A1 (0.38) CRHR1ALDH1A1ALOX12HTTGAA
SCHEMBL12593462 0.78 LMNA (0.54) CRHR1ALDH1A1ALOX12HTTGAA
SCHEMBL15614475 0.77 ALOX12 (0.59) CRHR1ALDH1A1ALOX12HTTGAA
SCHEMBL17831097 0.77 GABRA1 (0.39) ALDH1A1LMNATRPA1GABRA1CHRM1
SCHEMBL7484629 0.77 ALDH1A1 (0.53) CRHR1ALDH1A1ALOX12HTTGAA
SCHEMBL15984530 0.77 CRHR1 (0.41) CRHR1ALDH1A1ALOX12HTTGAA
SCHEMBL18929949 0.77 RECQL (0.34) LMNATRPA1CHRM1SLC6A2ADRA1A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 US disclosed
US-10934295-B2 Antimicrobials and methods of making and using same BioVersys AG (CH) 2021-03-02 US disclosed
US-20190211018-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME RIB-X PHARMACEUTICALS, INC. 2019-07-11 US disclosed
WO-2017193023-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME MELINTA THERAPEUTICS, INC. (US) 2017-11-09 WO disclosed
US-9540372-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-01-10 US disclosed
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-01-07 US disclosed
US-9155737-B2 Pyrido[2,3-B]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-10-13 US disclosed
US-20150182526-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-07-02 US disclosed
US-8912191-B2 Pyrido[2,3-B]pyrazin-8-substituted compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-12-16 US disclosed
US-20140121212-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2014-05-01 US disclosed
US-8546387-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-10-01 US disclosed
US-20120238568-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2012-09-20 US disclosed
US-8198279-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2012-06-12 US disclosed
US-8198279-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2012-06-12 US disclosed
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-11-25 US disclosed
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-11-25 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-20120238568-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 CRHR1 2187/4885ALDH1A1 1655/4885ALOX12 2877/4885
US-20150182526-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 CRHR1 2187/4885ALDH1A1 1655/4885ALOX12 2877/4885
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 CRHR1 3212/4885ALDH1A1 4745/4885ALOX12 2292/4885
US-10934295-B2 Antimicrobials and methods of making and using same LPO, MPO, OAT CRHR1 2272/4885ALDH1A1 1224/4885ALOX12 144/4885
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 CRHR1 2187/4885ALDH1A1 1655/4885ALOX12 2877/4885
US-20140121212-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 CRHR1 2187/4885ALDH1A1 1655/4885ALOX12 2877/4885
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 CRHR1 2187/4885ALDH1A1 1655/4885ALOX12 2877/4885
US-20190211018-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME LPO, MPO, OAT CRHR1 2272/4885ALDH1A1 1224/4885ALOX12 144/4885

“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.