SCHEMBL17403263

SCHEMBL17403263

O=C(NC1(C(=O)O)CCCCC1)c1cccn2c(=O)[nH]nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 2/20 0.42
ALK Q9UM73 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
RPS6KA3 P51812 1/20 0.42
MST1R Q04912 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1A Q13627 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ERAP1 Q9NZ08 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 11/20 0.38
CNR1 P21554 6/20 0.38
CHEK1 O14757 1/20 0.38
DAPK3 O43293 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL17433007 0.70 LTK (0.53) LTKALKDYRK1BRETMET
SCHEMBL17403245 0.70 LTK (0.47) LTKALKDYRK1BRETMET
SCHEMBL21798947 0.70 POLR1A (0.46) ALDH1A1
SCHEMBL17403241 0.69 LTK (0.46) LTKALKDYRK1BRETMET
SCHEMBL1841090 0.68 GPR132 (0.46) ERAP1ALDH1A1PYGLCYP2C9
SCHEMBL30321089 0.67 GPR132 (0.40) ERAP1ALDH1A1CNR2PYGLCYP2C9
SCHEMBL13164041 0.67 PYGL (0.54) PYGLCYP2C9
SCHEMBL1841603 0.66 RAB9A (0.52) ALDH1A1CNR2CYP2C9
SCHEMBL1841537 0.66 CXCR5 (0.71) ERAP1PYGLCYP2C9
SCHEMBL1836676 0.66 CTSK (0.61) ALDH1A1PYGLCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 LTK 3881/4885ALK 4363/4885DYRK1B 1100/4885
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE MME, CAPRIN1, XPNPEP1 LTK 3881/4885ALK 4363/4885DYRK1B 1100/4885

“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.