SCHEMBL4194664

SCHEMBL4194664

FC(F)(F)c1nc2c[c]ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.58
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1570107 0.86 NPSR1 (0.58) NPSR1KDM4EALDH1A1MAPTHPGD
SCHEMBL5212881 0.77 NPSR1 (0.40) NPSR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15200719 0.76 ALDH1A1 (0.31) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL693868 0.75 CACNA1H (0.40) NPSR1KDM4EMAPTHPGDCYP1A2
SCHEMBL704211 0.74 NPBWR1 (0.51)
SCHEMBL29353981 0.73 NPSR1 (1.00) NPSR1KDM4EALDH1A1MAPTHPGD
SCHEMBL10295 0.73 NPSR1 (1.00) NPSR1KDM4EALDH1A1MAPTHPGD
SCHEMBL2562588 0.72
SCHEMBL2564874 0.72 ALDH1A1 (0.53) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL314691 0.72 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 US disclosed
CN-111902146-B Medicinal products for treating cough 日本化学药品株式会社 2024-04-12 CN disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-06-09 US disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 US disclosed
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION V-BAC HOLDING CORP. (CA) 2015-09-24 US disclosed
US-8962613-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD. (JP) 2015-02-24 US disclosed
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US disclosed
US-20130172550-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2013-07-04 US disclosed
EP-2597088-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2013-05-29 EP disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 US disclosed
US-7473694-B2 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2009-01-06 US disclosed
EP-1864986-A1 PYRAZOLOPYRIMIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2007-12-12 EP disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 US disclosed
CN-1290253-A Heterocyclic topoisomerase poisons STATE UNIV OF NEW JERSEY RUTGE (US) 2001-04-04 CN 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 (11 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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 NPSR1 4029/4885KDM4E 1843/4885ALDH1A1 2911/4885
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 NPSR1 295/4885KDM4E 842/4885ALDH1A1 575/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 NPSR1 4029/4885KDM4E 1843/4885ALDH1A1 2911/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 NPSR1 58/4885KDM4E 2755/4885ALDH1A1 761/4885
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 NPSR1 257/4885KDM4E 3888/4885ALDH1A1 4716/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 NPSR1 375/4885KDM4E 1571/4885ALDH1A1 468/4885
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 NPSR1 58/4885KDM4E 2755/4885ALDH1A1 761/4885
US-20130172550-A1 P2X4 RECEPTOR ANTAGONIST P2RX4, P2RX3, P2RX7 NPSR1 23/4885KDM4E 3313/4885ALDH1A1 2732/4885
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 NPSR1 339/4885KDM4E 3849/4885ALDH1A1 4724/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 NPSR1 58/4885KDM4E 2755/4885ALDH1A1 761/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 NPSR1 356/4885KDM4E 1089/4885ALDH1A1 477/4885

“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.