SCHEMBL4769788

SCHEMBL4769788

CCN1CCN(c2nc(-c3ccc(C(=O)NC)cc3)cc3ccsc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FLT3 P36888 3/20 0.37
KCNH2 Q12809 2/20 0.37
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT4 P35916 1/20 0.37
NTRK3 Q16288 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
RXFP1 Q9HBX9 3/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
HDAC1 Q13547 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 SCHEMBL6289277 0.99 PTK2 (0.39) PTK2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4763442 0.91 AURKA (0.40) RXFP1CHRM2CHRM4CHRM1JAK2
Hydrochloric Acid SCHEMBL4774011 0.90 AURKA (0.40) RXFP1CHRM2CHRM4CHRM1JAK2
SCHEMBL4766720 0.89 PRKD1 (0.41) MAPTJAK2JAK3POLBHPGD
Hydrochloric Acid SCHEMBL4763531 0.89 PRKD1 (0.41) MAPTJAK2JAK3POLBHPGD
SCHEMBL14102734 0.88 CHEK1 (0.43) MAPTSMN1; SMN2RXFP1SYKGBA1
SCHEMBL6289169 0.88 PIK3CA (0.41) MAPTSMN1; SMN2NPC1RAB9APOLB
Hydrochloric Acid SCHEMBL4769869 0.87 PIK3CA (0.40) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4772055 0.87 HPGDS (0.44) MAPTSMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL14102709 0.86 LMNA (0.44) MAPTSMN1; SMN2NPC1RAB9ARXFP1

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 8 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
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 PTK2 3887/4885MAPT 1892/4885SMN1; SMN2 27/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PTK2 4051/4885MAPT 3756/4885SMN1; SMN2 37/4885

“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.