SCHEMBL13036075

SCHEMBL13036075

Cc1cc(-c2cnn(C)c2)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.59
PFKFB3 Q16875 2/20 0.54
GRIN2B Q13224 2/20 0.52
PIK3CA P42336 2/20 0.52
ERN1 O75460 1/20 0.49
CHRM1 P11229 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CB P42338 1/20 0.46
PI4KA P42356 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
ERBB4 Q15303 1/20 0.44
PDK2 Q15119 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
ACVR1 Q04771 1/20 0.43

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
SCHEMBL13036109 0.86 KCNH2 (0.59) KCNH2PFKFB3PIK3CAERN1CHRM1
SCHEMBL15889923 0.84 PIK3CD (0.49) KCNH2PFKFB3PIK3CAPIK3CDPIK3CB
SCHEMBL15056905 0.81 ERN1 (0.55) KCNH2PIK3CAERN1CHRM1PIK3CD
SCHEMBL16911233 0.79 FGFR1 (0.46) PIK3CAERN1PIK3CDPIK3CBPI4KA
SCHEMBL17809710 0.79 ERN1 (0.52) KCNH2PFKFB3PIK3CAERN1CHRM1
SCHEMBL17436998 0.79 KCNH2 (0.59) KCNH2GRIN2BPIK3CAPIK3CDPIK3CB
SCHEMBL15507821 0.79 ALDH1A1 (0.59) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL17806541 0.79 KCNH2 (0.60) KCNH2GRIN2BPIK3CAERN1CHRM1
SCHEMBL28852780 0.79 KCNH2 (0.46) KCNH2PFKFB3PIK3CAERN1CHRM1
SCHEMBL17806621 0.79 KCNH2 (0.59) KCNH2PFKFB3GRIN2BPIK3CAERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 WO disclosed
EP-3943490-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2022-01-26 EP disclosed
US-11066365-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2021-07-20 US disclosed
WO-2021138450-A1 NOVEL SMALL MOLECULE SHC BLOCKERS FOR TREATING LIVER DISEASE AND METABOLIC DISEASE BUTO CORPORATION (US) 2021-07-08 WO disclosed
US-11053198-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2021-07-06 US disclosed
EP-3842427-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2021-06-30 EP disclosed
US-10689345-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2020-06-23 US disclosed
US-20200181086-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-06-11 US disclosed
US-20190322624-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2019-10-24 US disclosed
US-20190284138-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2019-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 WO disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 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 (9 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-11066365-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP20, USP10 KCNH2 3551/4885PFKFB3 4635/4885GRIN2B 4799/4885
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 KCNH2 3995/4885PFKFB3 1851/4885GRIN2B 4073/4885
US-11053198-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP20, USP10 KCNH2 2357/4885PFKFB3 4457/4885GRIN2B 4647/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KCNH2 2291/4885PFKFB3 3930/4885GRIN2B 1854/4885
US-20200181086-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 KCNH2 2376/4885PFKFB3 4436/4885GRIN2B 4681/4885
US-20190284138-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 KCNH2 3551/4885PFKFB3 4635/4885GRIN2B 4799/4885
US-20190322624-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 KCNH2 2357/4885PFKFB3 4457/4885GRIN2B 4647/4885
US-10689345-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP20, USP10 KCNH2 2357/4885PFKFB3 4457/4885GRIN2B 4647/4885
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 KCNH2 3995/4885PFKFB3 1851/4885GRIN2B 4073/4885

“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.