SCHEMBL10249314

SCHEMBL10249314

CCn1c(C#Cc2cccc(O)c2)c(N)c2ccc(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
CD74 P04233 1/20 0.40
MIF P14174 1/20 0.40
FFAR1 O14842 2/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GRM5 P41594 1/20 0.35
PLA2G2A P14555 3/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
GRIK2 Q13002 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
SCHEMBL13152598 0.91 CA12 (0.42) DYRK1AFFAR1KDM4EALDH1A1MAPK1
SCHEMBL10249733 0.89 DYRK1A (0.40) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL13152163 0.88 DYRK1A (0.41) DYRK1AFFAR1KDM4EALDH1A1MAPK1
SCHEMBL13152070 0.88 APP (0.48) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL13152566 0.88 GRIK2 (0.43) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL13152170 0.87 MAPT (0.41) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL13152193 0.87 KDM4E (0.39) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL13153270 0.85 APP (0.48) DYRK1AKDM4EALDH1A1MAPK1HTT
SCHEMBL10095372 0.85 L3MBTL1 (0.43) DYRK1ACD74MIFFFAR1KDM4E
SCHEMBL13152568 0.85 APP (0.45) DYRK1AKDM4EALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS DYRK1A 4862/4885CD74 98/4885MIF 638/4885

“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.