SCHEMBL658778

SCHEMBL658778

NC(=O)Cc1ccc2c(c1)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.55
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXRB P28702 2/20 0.48
RXRA P19793 1/20 0.48
RXRG P48443 1/20 0.48
CA2 P00918 1/20 0.47
CYP2D6 P10635 1/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46

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
SCHEMBL31339549 1.00 MAPK8 (0.55) MAPK8ALDH1A1HPGDLMNAMAPT
SCHEMBL16526945 0.98 MAPK8 (0.54) MAPK8ALDH1A1HPGDLMNAMAPT
SCHEMBL5527444 0.83 RXRB (0.65) MAPK8ALDH1A1HPGDLMNAMAPT
SCHEMBL6348602 0.82 RXRB (0.50) MAPK8ALDH1A1HPGDLMNAMAPT
SCHEMBL3838996 0.81 RXRB (0.62) MAPK8ALDH1A1HPGDLMNAMAPT
SCHEMBL28813907 0.81 RXRB (0.46) MAPK8ALDH1A1MAPTSMN1; SMN2RXRB
SCHEMBL3800131 0.80 CA2 (0.46) MAPK8ALDH1A1HPGDLMNAMAPT
SCHEMBL27969759 0.80 RXRB (0.45) MAPK8ALDH1A1MAPTSMN1; SMN2RXRB
SCHEMBL6802503 0.79 ALDH1A1 (0.54) MAPK8ALDH1A1HPGDLMNAMAPT
SCHEMBL7650955 0.79 ALDH1A1 (0.55) MAPK8ALDH1A1HPGDLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917214-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2015-09-16 EP claimed
WO-2014072220-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-05-15 WO claimed
EP-4107153-A1 COMPOUNDS Inflazome Limited (IE) 2022-12-28 EP disclosed
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-9598402-B2 Quinazolinone analogs and use of quinazolinone analogs for treating or preventing certain viral infections SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 US disclosed
EP-2917214-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2015-09-16 EP disclosed
US-20140256753-A1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-09-11 US disclosed
CN-103889963-A Quinazolinone analogs and use of quinazolinone analogs for treating or preventing certain viral infections SOUTHERN RES INST 2014-06-25 CN disclosed
WO-2014072220-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-05-15 WO disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (8 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 MAPK8 2126/4885ALDH1A1 1104/4885HPGD 1082/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAPK8 3358/4885ALDH1A1 968/4885HPGD 1228/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPK8 2126/4885ALDH1A1 1104/4885HPGD 1082/4885
US-20140256753-A1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS HAVCR2, EIF2AK2, GLS2 MAPK8 2980/4885ALDH1A1 210/4885HPGD 341/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAPK8 3358/4885ALDH1A1 968/4885HPGD 1228/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 MAPK8 4128/4885ALDH1A1 1173/4885HPGD 584/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPK8 2126/4885ALDH1A1 1104/4885HPGD 1082/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAPK8 3358/4885ALDH1A1 968/4885HPGD 1228/4885

“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.