SCHEMBL4770751

SCHEMBL4770751

COc1ccc(-c2cc3ccccc3c(N3CCCNCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 2/20 0.56
PRKCA P17252 2/20 0.56
PRKCH P24723 2/20 0.56
PRKCE Q02156 2/20 0.56
PRKCQ Q04759 2/20 0.56
PRKCD Q05655 2/20 0.56
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
PKN2 Q16513 1/20 0.56
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
UBE2N P61088 1/20 0.51
PRKD1 Q15139 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL4771287 0.95 ROCK2 (0.60) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL4770812 0.82 HRH4 (0.56) KMT2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4772233 0.81 MERTK (0.55) KDM4EALDH1A1POLBGAAACP1
SCHEMBL4766376 0.81 KMT2A (0.46) KMT2AKDM4EALDH1A1POLBGAA
Hydrochloric Acid SCHEMBL4769484 0.81 MERTK (0.54) KDM4EALDH1A1POLBGAAACP1
SCHEMBL4768596 0.81 SMN1; SMN2 (0.46) KMT2AMEN1PKMSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL4766731 0.80 KMT2A (0.45) KMT2AALDH1A1POLBGAAMEN1
Hydrochloric Acid SCHEMBL6288704 0.80 KMT2A (0.45) KMT2AALDH1A1POLBGAAMEN1
SCHEMBL4763566 0.80 HRH3 (0.48) ROCK2ROCK1PKN2KMT2AKDM4E
SCHEMBL4772049 0.80 LMNA (0.47) KMT2AKDM4EALDH1A1POLBGAA

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 7 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
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 PRKCB 4169/4885PRKCA 3763/4885PRKCH 3746/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PRKCB 3628/4885PRKCA 3220/4885PRKCH 2626/4885

“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.