SCHEMBL4771287

SCHEMBL4771287

COc1ccc(-c2cc3ccccc3c(N3CCNCC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.60
ROCK1 Q13464 1/20 0.60
PKN2 Q16513 1/20 0.60
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
UBE2N P61088 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
PRKD1 Q15139 2/20 0.53
PRKCB P05771 2/20 0.53
PRKCA P17252 2/20 0.53
PRKCH P24723 2/20 0.53
PRKCE Q02156 2/20 0.53
PRKCQ Q04759 2/20 0.53

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
SCHEMBL4770751 0.95 PRKCB (0.56) ROCK2ROCK1PKN2KDM4EALDH1A1
SCHEMBL4770812 0.86 HRH4 (0.56) KDM4EKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4772233 0.85 MERTK (0.55) KDM4EALDH1A1POLBGAAACP1
Hydrochloric Acid SCHEMBL4769484 0.84 MERTK (0.54) KDM4EALDH1A1POLBGAAACP1
SCHEMBL4772049 0.83 LMNA (0.47) KDM4EALDH1A1POLBGAAKMT2A
SCHEMBL4763566 0.83 HRH3 (0.48) ROCK2ROCK1PKN2KDM4EALDH1A1
SCHEMBL4774137 0.83 TLR9 (0.52) ROCK2ROCK1PKN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4774712 0.82 TLR9 (0.51) ROCK2ROCK1PKN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4770729 0.82 HRH3 (0.47) ROCK2ROCK1PKN2ALDH1A1GAA
SCHEMBL4765804 0.82 TLR9 (0.48) KDM4EALDH1A1GAAKMT2APRKD1

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
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 ROCK2 3313/4885ROCK1 2976/4885PKN2 1204/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ROCK2 1825/4885ROCK1 1087/4885PKN2 1418/4885

“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.