SCHEMBL586909

SCHEMBL586909

COc1cnc2c(c1)c(C#N)cn2C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 2/20 0.39
SRC P12931 4/20 0.38
ABL1 P00519 3/20 0.38
EGFR P00533 3/20 0.38
ABL2 P42684 3/20 0.38
XDH P47989 3/20 0.38
MTNR1A P48039 1/20 0.36
CTSL P07711 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8513018 0.83 XDH (0.39) ABL1XDHKDM4EALDH1A1ELANE
SCHEMBL586003 0.81 XDH (0.39) SRCABL1EGFRABL2XDH
SCHEMBL586526 0.81 XDH (0.39) ABL1XDHELANE
SCHEMBL586793 0.74 PDE10A (0.39) SRCXDHMTNR1ACTSL
SCHEMBL579200 0.74 XDH (0.41) XDHKDM4EMEN1NPC1ALDH1A1
SCHEMBL8513959 0.73 ELANE (0.55) XDHELANE
SCHEMBL18590930 0.73 MTNR1A (0.41) SRCABL1EGFRABL2MTNR1A
SCHEMBL8511874 0.73 XDH (0.37) ABL1XDHELANE
SCHEMBL586908 0.71 PTPN11 (0.33) SRCMTNR1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9880034 0.71 NUAK1 (0.37) NUAK1MTNR1AKDM4EALDH1A1HTT

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-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
EP-2417133-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117935-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO disclosed
WO-2010117935-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 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 (1 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 NUAK1 3547/4885SRC 3244/4885ABL1 487/4885

“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.