SCHEMBL3173181

SCHEMBL3173181

CNc1ccc(F)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
PGR P06401 4/20 0.41
TRPV4 Q9HBA0 2/20 0.41
BLM P54132 1/20 0.40
WRN Q14191 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.37
EGFR P00533 4/20 0.36
ERBB2 P04626 2/20 0.36
BUB1 O43683 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL21919186 0.86 GRM4 (0.44) GRM4ABCG2PGRTRPV4BLM
SCHEMBL6656206 0.86 TRPV4 (0.52) PGRTRPV4ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28654736 0.84 TRPV4 (0.50) PGRTRPV4ALDH1A1MAPT
SCHEMBL14046649 0.83 ALDH1A1 (0.46) ABCG2ALDH1A1MAPTEGFRERBB2
SCHEMBL897882 0.82 GRM4 (0.47) GRM4ABCG2PGRTRPV4BLM
SCHEMBL19190440 0.82 GRM4 (0.50) GRM4ABCG2PGRTRPV4BLM
SCHEMBL21844923 0.82 GRM4 (0.47) GRM4ABCG2PGRTRPV4BLM
Hydrochloric Acid SCHEMBL1765566 0.80 GRM4 (0.46) GRM4ABCG2PGRTRPV4BLM
SCHEMBL7230699 0.80 GRM4 (0.46) GRM4ABCG2PGRTRPV4BLM
SCHEMBL29824380 0.79 GRM4 (0.56) GRM4BLMWRNALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025016138-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-01-23 WO disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
WO-2022087422-A9 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2022-06-09 WO disclosed
WO-2022087422-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2022-04-28 WO disclosed
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed
US-10196376-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 EP disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 US disclosed
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
WO-2008074091-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2008-06-26 WO disclosed
WO-2008074091-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2008-06-26 WO disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO 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-10196376-B2 Hepatitis B antiviral agents HAVCR2, EIF2AK2, IRF3 GRM4 3661/4885ABCG2 3434/4885PGR 3541/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 GRM4 3647/4885ABCG2 4248/4885PGR 2649/4885
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 GRM4 3661/4885ABCG2 3434/4885PGR 3541/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A GRM4 2670/4885ABCG2 233/4885PGR 3285/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A GRM4 2670/4885ABCG2 233/4885PGR 3285/4885

“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.