SCHEMBL2608952

SCHEMBL2608952

CC(C)Cn1ccc2cccnc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
HTR2B P41595 3/20 0.49
DAO P14920 1/20 0.45
P2RX7 Q99572 1/20 0.44
PARP1 P09874 1/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 1/20 0.40
CDC7 O00311 1/20 0.40
CDK2 P24941 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
GRM4 Q14833 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL25818081 0.87 HTR2C (0.65) MTNR1AHTR2AHTR2CHTR2BDAO
SCHEMBL25818021 0.84 MTNR1A (0.47) MTNR1AHTR2AHTR2CHTR2BDAO
SCHEMBL2543931 0.80 MTNR1A (0.55) MTNR1AHTR2AHTR2CHTR2BDAO
SCHEMBL14302902 0.77 MTNR1A (0.50) MTNR1AHTR2AHTR2CHTR2BDAO
SCHEMBL7771626 0.77 MTNR1A (0.60) MTNR1AHTR2AHTR2CHTR2BDAO
SCHEMBL28027047 0.77 MTNR1A (0.51) MTNR1AHTR2AHTR2CHTR2BDAO
SCHEMBL16195505 0.77 MTNR1A (0.55) MTNR1AHTR2AHTR2CHTR2BDAO
SCHEMBL28527983 0.76 MTNR1A (0.49) MTNR1AHTR2AHTR2CHTR2BDAO
SCHEMBL3468750 0.76 MTNR1A (0.43) MTNR1AHTR2AHTR2CHTR2BDAO
SCHEMBL28057969 0.76 MTNR1A (0.43) MTNR1AHTR2AHTR2CHTR2BDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039755-B2 2-(azaindol-2-yl) benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2018-08-07 US disclosed
US-20180161316-A1 2-(AZAINDOL-2-YL) BENZIMIDAZOLES AS PAD4 INHIBITORS GLAXO GROUP LIMITED (GB) 2018-06-14 US disclosed
US-9833449-B2 2-(azaindol-2-yl) benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2017-12-05 US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170119750-A1 2- (AZAINDOL-2-YL) BENZIMIDAZOLES AS PAD4 INHIBITORS GLAXO GROUP LIMITED (GB) 2017-05-04 US disclosed
US-20160362478-A1 CD4-MIMETIC SMALL MOLECULES SENSITIZE HUMAN IMMUNODEFICIENCY VIRUS TO VACCINE-ELICITED ANTIBODIES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-12-15 US disclosed
US-9403763-B2 CD4-mimetic inhibitors of HIV-1 entry and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-02 US disclosed
US-20160009716-A1 2 - (AZAINDOL-2-YL) BENZ IMIDAZOLES AS PAD4 INHIBITORS GLAXO GROUP LIMITED (GB) 2016-01-14 US disclosed
US-9127003-B2 2-(azaindol-2-yl)benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2015-09-08 US disclosed
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS Glaxo Group Limited a corporation 2015-06-25 US disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 US disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (12 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B MTNR1A 2143/4885HTR2A 4100/4885HTR2C 3760/4885
US-10039755-B2 2-(azaindol-2-yl) benzimidazoles as PAD4 inhibitors PADI1, PADI4, PADI2 MTNR1A 4224/4885HTR2A 4181/4885HTR2C 1961/4885
US-20160009716-A1 2 - (AZAINDOL-2-YL) BENZ IMIDAZOLES AS PAD4 INHIBITORS PADI1, PADI4, PADI2 MTNR1A 4174/4885HTR2A 4287/4885HTR2C 2345/4885
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS MTNR1A 3940/4885HTR2A 4728/4885HTR2C 4644/4885
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H MTNR1A 1932/4885HTR2A 4345/4885HTR2C 4291/4885
US-20160362478-A1 CD4-MIMETIC SMALL MOLECULES SENSITIZE HUMAN IMMUNODEFICIENCY VIRUS TO VACCINE-ELICITED ANTIBODIES CD4, CD14, CD81 MTNR1A 4225/4885HTR2A 3664/4885HTR2C 3607/4885
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS PADI1, PADI4, PADI2 MTNR1A 4192/4885HTR2A 4189/4885HTR2C 1909/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E MTNR1A 2318/4885HTR2A 4512/4885HTR2C 4189/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E MTNR1A 908/4885HTR2A 4221/4885HTR2C 4182/4885
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E MTNR1A 2318/4885HTR2A 4512/4885HTR2C 4189/4885
US-20180161316-A1 2-(AZAINDOL-2-YL) BENZIMIDAZOLES AS PAD4 INHIBITORS PADI1, PADI4, PADI2 MTNR1A 4191/4885HTR2A 4174/4885HTR2C 1909/4885
US-20170119750-A1 2- (AZAINDOL-2-YL) BENZIMIDAZOLES AS PAD4 INHIBITORS PADI1, PADI4, PADI2 MTNR1A 4132/4885HTR2A 4052/4885HTR2C 1747/4885

“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.