SCHEMBL4766720

SCHEMBL4766720

CCCNC(=O)c1ccc(-c2cc3ccsc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.41
LMNA P02545 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
RAD52 P43351 1/20 0.39
GALK1 P51570 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
RIPK1 Q13546 1/20 0.38
PAK4 O96013 1/20 0.38
MAPK8 P45983 1/20 0.38
TYRO3 Q06418 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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 SCHEMBL4763531 0.99 PRKD1 (0.41) PRKD1LMNAMKNK1MKNK2RAD52
SCHEMBL6289169 0.94 PIK3CA (0.41) LMNAALDH1A1KDM4ETP53POLB
Hydrochloric Acid SCHEMBL4769869 0.94 PIK3CA (0.40) LMNAALDH1A1KDM4ETP53POLB
SCHEMBL4763442 0.92 AURKA (0.40) RAD52GALK1TP53JAK2JAK3
Hydrochloric Acid SCHEMBL4774011 0.91 AURKA (0.40) RAD52GALK1TP53JAK2JAK3
SCHEMBL4769788 0.89 PTK2 (0.39) POLBMAPTJAK2JAK3HPGD
Hydrochloric Acid SCHEMBL6289277 0.89 PTK2 (0.39) POLBMAPTJAK2JAK3HPGD
SCHEMBL4772055 0.86 HPGDS (0.44) LMNAALDH1A1KDM4ETP53POLB
SCHEMBL14102709 0.85 LMNA (0.44) LMNAALDH1A1TP53POLBMAPT
Hydrochloric Acid SCHEMBL4793876 0.85 HPGDS (0.43) LMNAALDH1A1KDM4ETP53POLB

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 PRKD1 3692/4885LMNA 1057/4885MKNK1 2052/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PRKD1 2371/4885LMNA 1917/4885MKNK1 3147/4885

“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.