SCHEMBL3793191

SCHEMBL3793191

O=C(Cl)c1ccc2n[nH]c(=O)n2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.43
NOTUM Q6P988 12/20 0.33
CHEK1 O14757 2/20 0.33
AKR1B1 P15121 1/20 0.31
PDE5A O76074 1/20 0.31
PDPK1 O15530 1/20 0.31
RET P07949 1/20 0.30
MET P08581 1/20 0.30
LTK P29376 1/20 0.30
GRK5 P34947 1/20 0.30
CDK8 P49336 1/20 0.30
RPS6KA3 P51812 1/20 0.30
MST1R Q04912 1/20 0.30
TYRO3 Q06418 1/20 0.30
DYRK1A Q13627 1/20 0.30
LRRK2 Q5S007 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
ALK Q9UM73 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3708402 0.85 SCN5A (0.44) SCN5ANOTUMCHEK1AKR1B1PDE5A
SCHEMBL18632521 0.75 SCN5A (0.38) SCN5A
SCHEMBL3435779 0.72 SCN5A (0.48) SCN5ANOTUMCHEK1
SCHEMBL18655673 0.71 SCN5A (0.44) SCN5ANOTUMPDE5ARETMET
SCHEMBL17403260 0.70 NPC1 (0.48) CHEK1ALDH1A1
SCHEMBL406976 0.68 SCN5A (0.48) SCN5ANOTUMCHEK1PDPK1
SCHEMBL18632535 0.68 SCN5A (0.62) SCN5ANOTUMCHEK1PDE5APDPK1
SCHEMBL17403215 0.68 TDP1 (0.47) SCN5ANOTUMCHEK1
SCHEMBL6730706 0.68 SCN5A (0.44) SCN5ANOTUMCHEK1PDE5AALDH1A1
SCHEMBL16154734 0.68 SCN5A (0.48) SCN5ANOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO claimed
US-9827244-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2017-11-28 US disclosed
US-9827244-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2017-11-28 US disclosed
US-20170000788-A1 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-01-05 US disclosed
US-20170000788-A1 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-01-05 US disclosed
US-9359351-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2016-06-07 US disclosed
US-9359351-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2016-06-07 US disclosed
WO-2016005330-A1 DIHYDROPYRIDOPYRAZINE-1,8-DIONES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2016-01-14 WO disclosed
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-01-07 US disclosed
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-01-07 US disclosed
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 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 (2 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-20170000788-A1 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease MME, CAPRIN1, XPNPEP1 SCN5A 2372/4885NOTUM 924/4885CHEK1 3715/4885
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE MME, CAPRIN1, XPNPEP1 SCN5A 2372/4885NOTUM 924/4885CHEK1 3715/4885

“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.