SCHEMBL4768936

SCHEMBL4768936

CCOC(=O)COc1ccc(-c2cc3cccnc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.46
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
PDE4A P27815 1/20 0.40
MAPK1 P28482 3/20 0.39
USP2 O75604 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
CSF1R P07333 2/20 0.39
NTRK1 P04629 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL4763350 0.87 METAP1 (0.49) METAP1KDM4EALDH1A1TP53HPGD
SCHEMBL4768987 0.85 RAB9A (0.41) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4774339 0.85 METAP1 (0.40) METAP1KDM4EALDH1A1TP53HPGD
Hydrochloric Acid SCHEMBL4773147 0.84 RAB9A (0.41) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4775428 0.83 PIK3CA (0.47) ALDH1A1HPGDHSD17B10MAPTRAB9A
Hydrochloric Acid SCHEMBL4765800 0.83 PIK3CA (0.47) ALDH1A1HPGDHSD17B10MAPTRAB9A
SCHEMBL4766124 0.82 CSF1R (0.38) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL6288612 0.82 CSF1R (0.40) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4766073 0.82 CSF1R (0.40) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4769431 0.82 KDM4E (0.43) METAP1KDM4EALDH1A1TP53HPGD

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 METAP1 3597/4885KDM4E 1050/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 METAP1 2441/4885KDM4E 1058/4885ALDH1A1 1071/4885

“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.