SCHEMBL4763442

SCHEMBL4763442

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
RXFP1 Q9HBX9 3/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 1/20 0.38
TGFBR1 P36897 1/20 0.38
CHIA Q9BZP6 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
TP53 P04637 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
RAD52 P43351 1/20 0.36
GALK1 P51570 1/20 0.36

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 SCHEMBL4774011 0.99 AURKA (0.40) AURKAJAK2JAK3RXFP1SIRT2
SCHEMBL4766720 0.92 PRKD1 (0.41) JAK2JAK3TP53RAD52GALK1
Hydrochloric Acid SCHEMBL4763531 0.92 PRKD1 (0.41) JAK2JAK3TP53RAD52GALK1
SCHEMBL4769788 0.91 PTK2 (0.39) JAK2JAK3RXFP1CHRM2CHRM4
SCHEMBL6289169 0.91 PIK3CA (0.41) PIK3CAMTORPIK3CGTP53
Hydrochloric Acid SCHEMBL6289277 0.90 PTK2 (0.39) JAK2JAK3RXFP1CHRM2CHRM4
Hydrochloric Acid SCHEMBL4769869 0.90 PIK3CA (0.40) PIK3CAMTORPIK3CGTP53
SCHEMBL14102734 0.87 CHEK1 (0.43) RXFP1
SCHEMBL4772055 0.86 HPGDS (0.44) RXFP1TGFBR1TP53
SCHEMBL14102709 0.85 LMNA (0.44) RXFP1TGFBR1TP53

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 AURKA 1190/4885JAK2 1600/4885JAK3 3693/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 AURKA 2411/4885JAK2 1730/4885JAK3 2506/4885

“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.