SCHEMBL4766762

SCHEMBL4766762

COc1ccc(C#Cc2ccncc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.45
CLK1 P49759 2/20 0.43
CLK2 P49760 2/20 0.43
CLK3 P49761 2/20 0.43
CDK5 Q00535 2/20 0.43
DYRK1A Q13627 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
ACACB O00763 1/20 0.40
POLB P06746 2/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL15569114 0.80 HTT (0.40) SMN1; SMN2CYP11B1CYP11B2KMT2AKDM4E
SCHEMBL15775331 0.79 HTT (0.46) APPCDK5DYRK1ACDK5R1SMN1; SMN2
SCHEMBL28368555 0.79 POLB (0.57) APPACACBPOLBKCNH2GAA
SCHEMBL4770735 0.77 APP (0.42) APPACACBKCNH2SMN1; SMN2KMT2A
SCHEMBL15775186 0.76 GRM5 (0.49) KCNH2CYP11B1CYP11B2KMT2AMEN1
SCHEMBL19243792 0.76 SLC22A12 (0.50) CLK1CLK2CLK3CDK5DYRK1A
SCHEMBL2524456 0.76 APP (0.61) APPACACBKCNH2GAASMN1; SMN2
SCHEMBL29581194 0.75 HAO1 (0.45) APPACACBSMN1; SMN2KMT2AKDM4E
SCHEMBL22189805 0.75 HAO1 (0.45) APPACACBSMN1; SMN2KMT2AKDM4E
SCHEMBL22868036 0.75 POLB (0.61) CLK1CLK2CLK3CDK5DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 APP 4112/4885CLK1 3182/4885CLK2 1691/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 APP 4602/4885CLK1 3940/4885CLK2 2525/4885

“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.