SCHEMBL15078645

SCHEMBL15078645

CNc1nnc(-c2ccc(C)cc2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 5/20 0.67
HPGD P15428 3/20 0.67
HSD17B10 Q99714 2/20 0.67
POLB P06746 1/20 0.67
ALOX15 P16050 1/20 0.67
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
MAPT P10636 3/20 0.66
TP53 P04637 2/20 0.66
GLA P06280 1/20 0.66
GAA P10253 1/20 0.66
LMNA P02545 1/20 0.58
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
KDM1A O60341 2/20 0.50
GFER P55789 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HDAC1 Q13547 2/20 0.49

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
SCHEMBL10000252 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL13105216 0.82 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL9209215 0.82 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL163040 0.80 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL15077183 0.79 KDM4E (0.62) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL18355127 0.79 NPC1 (0.54) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL7090011 0.78 NPC1 (0.53) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL12537892 0.78 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2301793 0.78 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL11619783 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US 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-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-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-09-17 US disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 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 (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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 575/4885KDM4E 842/4885HPGD 283/4885
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 761/4885KDM4E 2755/4885HPGD 178/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 761/4885KDM4E 2755/4885HPGD 178/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 527/4885KDM4E 791/4885HPGD 307/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885KDM4E 1571/4885HPGD 135/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885KDM4E 1571/4885HPGD 135/4885
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER4, PTGER1, PTGER2 ALDH1A1 477/4885KDM4E 1089/4885HPGD 299/4885
US-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 ALDH1A1 1886/4885KDM4E 1141/4885HPGD 3742/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 ALDH1A1 418/4885KDM4E 1545/4885HPGD 226/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 761/4885KDM4E 2755/4885HPGD 178/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 ALDH1A1 477/4885KDM4E 1089/4885HPGD 299/4885

“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.