SCHEMBL4774801

SCHEMBL4774801

CCN1CCN(c2nc(-c3ccc(N4CC[S+]([O-])CC4)nc3)cc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.43
SYK P43405 2/20 0.42
ZAP70 P43403 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
PKN2 Q16513 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 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
Hydrochloric Acid SCHEMBL4770448 0.99 TNKS (0.43) TNKSSYKZAP70ROCK2ROCK1
SCHEMBL4768946 0.86 TNKS (0.45) TNKSSYKZAP70ROCK2ROCK1
SCHEMBL4766842 0.86 TNKS (0.45) TNKSSYKZAP70ROCK2ROCK1
Hydrochloric Acid SCHEMBL6288885 0.85 TNKS (0.44) TNKSSYKZAP70ROCK2ROCK1
Hydrochloric Acid SCHEMBL4774816 0.85 TNKS (0.44) TNKSSYKZAP70ROCK2ROCK1
SCHEMBL4772078 0.85 SYK (0.45) TNKSSYKZAP70ROCK2ROCK1
SCHEMBL4766291 0.85 CKS1B (0.46) TNKSSYKZAP70ROCK2ROCK1
Hydrochloric Acid SCHEMBL4773702 0.84 SYK (0.45) TNKSSYKZAP70ROCK2ROCK1
Hydrochloric Acid SCHEMBL4766679 0.84 CKS1B (0.45) TNKSSYKZAP70ROCK2ROCK1
SCHEMBL4766107 0.83 SYK (0.46) TNKSSYKZAP70ROCK2ROCK1

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-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 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
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 TNKS 2508/4885SYK 3149/4885ZAP70 4344/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TNKS 2461/4885SYK 2669/4885ZAP70 4268/4885

“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.