SCHEMBL4764296

SCHEMBL4764296

CCN1CCN(c2nc(-c3ccc(N4CCC(O)CC4)nc3)cc3ccsc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.46
ZAP70 P43403 1/20 0.40
ADK P55263 1/20 0.40
RET P07949 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DRD2 P14416 4/20 0.38
HTR2A P28223 4/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
AURKA O14965 1/20 0.37
KIT P10721 1/20 0.37
SRC P12931 1/20 0.37
AXL P30530 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
MERTK Q12866 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
PDE7A Q13946 2/20 0.37

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
Hydrochloric Acid SCHEMBL4763299 0.99 SYK (0.46) SYKZAP70ADKRETHRH3
SCHEMBL4770694 0.88 SYK (0.44) SYKZAP70ADKRETHRH3
Hydrochloric Acid SCHEMBL4763432 0.87 SYK (0.43) SYKZAP70ADKRETKDM4E
SCHEMBL4768885 0.87 SYK (0.45) SYKZAP70ADKPDE7ACYP3A4
Hydrochloric Acid SCHEMBL4774260 0.86 SYK (0.45) SYKZAP70ADKPDE7ACYP3A4
SCHEMBL4772078 0.83 SYK (0.45) SYKZAP70ADKRETHRH3
Hydrochloric Acid SCHEMBL4773702 0.82 SYK (0.45) SYKZAP70ADKRETHRH3
SCHEMBL4768384 0.79 PDE5A (0.42) SYK
SCHEMBL4773526 0.79 FGFR1 (0.41) SYKKDR
SCHEMBL4775425 0.79 DRD2 (0.37) SYKDRD2HTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
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 SYK 3149/4885ZAP70 4344/4885ADK 3260/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885ZAP70 4268/4885ADK 2521/4885

“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.