SCHEMBL4774027

SCHEMBL4774027

CCN1CCN(c2nc(-c3ccnc(Cl)c3)cc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 4/20 0.53
PRKCA P17252 1/20 0.53
PRKCD Q05655 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PKN2 Q16513 1/20 0.43
HTT P42858 2/20 0.43
GBA1 P04062 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
PAX8 Q06710 1/20 0.43

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 SCHEMBL4764712 0.99 PRKD1 (0.53) PRKD1PRKCAPRKCDSMN1; SMN2LMNA
SCHEMBL4773153 0.85 SMN1; SMN2 (0.47) PRKD1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL4768259 0.81 SMN1; SMN2 (0.47) PRKD1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL4764129 0.81 SMN1; SMN2 (0.44) PRKD1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL4772199 0.81 KMT2A (0.54) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
Hydrochloric Acid SCHEMBL4769119 0.81 SMN1; SMN2 (0.46) PRKD1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL4763604 0.80 SMN1; SMN2 (0.65) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
Hydrochloric Acid SCHEMBL4763437 0.79 SMN1; SMN2 (0.64) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
SCHEMBL4773428 0.79 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
SCHEMBL4773872 0.79 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTKMT2ACYP1A2

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 PRKD1 3692/4885PRKCA 3763/4885PRKCD 4461/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PRKD1 2371/4885PRKCA 3220/4885PRKCD 3204/4885

“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.