SCHEMBL12099338

SCHEMBL12099338

Cc1c(F)ccc(N)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
GFER P55789 1/20 0.37
LMNA P02545 1/20 0.36
GRM6 O15303 1/20 0.36
KDM4E B2RXH2 8/20 0.36
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
ADORA2A P29274 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ADRA2A P08913 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 6/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
STAT3 P40763 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL8090040 0.82 TRPV4 (0.39) GAAGFERLMNAGRM6KDM4E
SCHEMBL10120481 0.78 CYP1A2 (0.37) GAAGFERLMNAKDM4EUSP8
SCHEMBL29196717 0.78 TRPV4 (0.37) GAAGFERLMNATRPV4ADORA2A
SCHEMBL1622094 0.78 KDM4E (0.39) LMNAGRM6KDM4EADORA2AHSD17B10
SCHEMBL9575173 0.77 GRM6 (0.41) LMNAGRM6KDM4EADORA2AHSD17B10
SCHEMBL9575176 0.75 ALDH1A1 (0.43) GRM6KDM4EADORA2AHSD17B10ADRA2A
SCHEMBL406265 0.75 KDM4E (0.37) GAAGFERLMNAGRM6KDM4E
SCHEMBL8388503 0.75 GRM6 (0.36) LMNAGRM6KDM4EADORA2AHSD17B10
SCHEMBL6379593 0.75 GRM6 (0.36) LMNAGRM6KDM4EADORA2AHSD17B10
SCHEMBL27401021 0.75 GRM6 (0.36) LMNAGRM6KDM4ETRPV4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121164-B1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-02-19 EP disclosed
US-20200039931-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2020-02-06 US disclosed
US-10457638-B2 Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-10-29 US disclosed
EP-2997011-B1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-08-29 EP disclosed
US-20180141905-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-05-24 US disclosed
US-9884818-B2 Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2018-02-06 US disclosed
US-20170174668-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNATIONAL GMBH (DE) 2017-06-22 US disclosed
US-20170174668-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNATIONAL GMBH (DE) 2017-06-22 US disclosed
EP-3121164-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2017-01-25 EP disclosed
US-20160115125-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2016-04-28 US disclosed
EP-2997011-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2016-03-23 EP disclosed
WO-2015082324-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-11 WO disclosed
WO-2014184350-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN R&D IRELAND (IE) 2014-11-20 WO disclosed
US-20120232073-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORPORATION 2012-09-13 US disclosed
US-20120232073-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORPORATION 2012-09-13 US disclosed
US-20120232073-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORPORATION 2012-09-13 US disclosed
WO-2011062885-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2011-05-26 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 (6 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-20180141905-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B RB1, XDH, HBS1L GAA 3815/4885GFER 1368/4885LMNA 2665/4885
US-10457638-B2 Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B RB1, XDH, HBS1L GAA 3815/4885GFER 1368/4885LMNA 2665/4885
US-20170174668-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS NEK5, NEK2, SIK2 GAA 2574/4885GFER 3556/4885LMNA 3737/4885
US-20200039931-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B RB1, XDH, HBS1L GAA 3815/4885GFER 1368/4885LMNA 2665/4885
US-20160115125-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B RB1, XDH, HBS1L GAA 3815/4885GFER 1368/4885LMNA 2665/4885
US-20120232073-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR4 GAA 2673/4885GFER 4212/4885LMNA 3719/4885

“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.