SCHEMBL14858622

SCHEMBL14858622

CSc1nc2ncc(CO)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KEAP1 Q14145 1/20 0.37
HSD17B10 Q99714 1/20 0.34
PKM P14618 2/20 0.33
CASP3 P42574 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
TOP2A P11388 1/20 0.32
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.32
KDR P35968 1/20 0.32
APP P05067 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
DYRK1A Q13627 1/20 0.30
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL14858349 0.84 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1KEAP1PKMCASP3
SCHEMBL20489420 0.81 AADAT (0.38) SMN1; SMN2NPSR1KEAP1PKMCASP3
SCHEMBL20489478 0.80 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1KEAP1PKMCASP3
SCHEMBL4619864 0.78 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1KEAP1PKMRAB9A
SCHEMBL6339430 0.77 HRH3 (0.40) SMN1; SMN2NPSR1KEAP1PKMRAB9A
SCHEMBL6336941 0.77 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1KEAP1HSD17B10PKM
SCHEMBL20489612 0.75 MGAM (0.37) SMN1; SMN2NPSR1KEAP1HSD17B10PKM
SCHEMBL14858912 0.74 KEAP1 (0.59) SMN1; SMN2NPSR1KEAP1HSD17B10PKM
SCHEMBL21206885 0.73 HRH3 (0.43) SMN1; SMN2NPSR1KEAP1PKMKDR
SCHEMBL16421138 0.73 PKM (0.39) SMN1; SMN2NPSR1KEAP1PKMTOP2A

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
EP-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 EP disclosed
US-9938261-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2018-04-10 US disclosed
EP-2766359-B9 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES AMBIT BIOSCIENCES CORP (US) 2017-04-05 EP disclosed
US-20160362405-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2016-12-15 US disclosed
US-9452167-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-09-27 US disclosed
EP-2766359-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES AMBIT BIOSCIENCES CORP (US) 2016-04-13 EP disclosed
US-20150196566-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-07-16 US disclosed
US-8952058-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-02-10 US disclosed
US-20130096113-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-04-18 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 (5 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-20160362405-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA SMN1; SMN2 2598/4885NPSR1 719/4885KEAP1 2045/4885
US-20130096113-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA SMN1; SMN2 2598/4885NPSR1 719/4885KEAP1 2045/4885
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 SMN1; SMN2 4513/4885NPSR1 3399/4885KEAP1 781/4885
US-20150196566-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA SMN1; SMN2 2598/4885NPSR1 719/4885KEAP1 2045/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 SMN1; SMN2 4455/4885NPSR1 3343/4885KEAP1 519/4885

“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.