SCHEMBL8513018

SCHEMBL8513018

Cc1cnc2c(c1)c(C#N)cn2C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.39
KDM1A O60341 6/20 0.37
ELANE P08246 2/20 0.36
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK8 P45983 1/20 0.35

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
SCHEMBL586003 0.84 XDH (0.39) XDHKDM1AELANEDAPK3MAP4K4
SCHEMBL586526 0.84 XDH (0.39) XDHKDM1AELANEDAPK3MAP4K4
SCHEMBL586909 0.83 NUAK1 (0.39) XDHELANEABL1KDM4EALDH1A1
SCHEMBL8511874 0.78 XDH (0.37) XDHKDM1AELANEDAPK3MAP4K4
SCHEMBL8513959 0.76 ELANE (0.55) XDHELANE
SCHEMBL586627 0.76 XDH (0.42) XDHKDM1AELANEOPRK1
SCHEMBL8513015 0.76 XDH (0.44) XDHKDM1A
SCHEMBL12616604 0.75 IMPDH2 (0.41) ELANEABL1KDRKDM4EALDH1A1
SCHEMBL8513604 0.75 XDH (0.38) XDHKDM1AELANEDAPK3MAP4K4
SCHEMBL12107218 0.72 XDH (0.43) XDHKDM1A

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 2 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 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 (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 XDH 555/4885KDM1A 2676/4885ELANE 756/4885

“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.