SCHEMBL4772618

SCHEMBL4772618

CCN1CCN(c2nc(-c3ccc(OCCO[Si](C)(C)C(C)(C)C)cc3)cc3cscc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRMT5 O14744 1/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
CXCR1 P25024 5/20 0.35
NPC1 O15118 1/20 0.35
CYP2D6 P10635 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TP53 P04637 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL4772647 0.86 SYK (0.40) MEN1KMT2AKDM4EALDH1A1USP2
SCHEMBL4763526 0.83 PRMT5 (0.39) MEN1KMT2AKDM4EALDH1A1USP2
Oxalic Acid SCHEMBL4842074 0.82 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1USP2
SCHEMBL4774318 0.82 HRH3 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL4772619 0.79 PRMT5 (0.35) MEN1KMT2AKDM4EALDH1A1USP2
SCHEMBL4770426 0.79 CYP2D6 (0.39) MEN1KMT2AKDM4EALDH1A1USP2
SCHEMBL4764656 0.77 FGFR1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
Oxalic Acid SCHEMBL4791621 0.77 HRH3 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4772617 0.76 CYP2D6 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL4770549 0.75 ROCK2 (0.37) MEN1KMT2AKDM4EALDH1A1MAPT

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 MEN1 786/4885KMT2A 1240/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MEN1 1171/4885KMT2A 1300/4885KDM4E 1058/4885

“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.