SCHEMBL6668063

SCHEMBL6668063

COc1ccc(-c2ccc(OC)c(-c3nc(N)nc(N)n3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.55
▸ DHFR P00374 2/20 0.51
▸ RECQL P46063 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ DYRK1A Q13627 2/20 0.49
▸ AGPAT2 O15120 1/20 0.47
▸ FYN P06241 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.43
▸ ADORA1 P30542 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
SCHEMBL6978351 0.80 DYRK1A (0.56) NPC1DHFRALDH1A1DYRK1AKDM4E
SCHEMBL669785 0.78 DYRK1A (0.58) NPC1DHFRALDH1A1DYRK1AKDM4E
SCHEMBL10486300 0.78 NPC1 (0.71) NPC1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6640492 0.77 CCNT1 (0.58) DHFRALDH1A1DYRK1AFYNKDM4E
SCHEMBL12312330 0.77 ALDH1A1 (0.68) NPC1ALDH1A1DYRK1AHSD17B10KMT2A
SCHEMBL9566435 0.76 MGAM (0.54) NPC1RECQLALDH1A1AGPAT2KMT2A
SCHEMBL9566471 0.76 RECQL (0.78) RECQLALDH1A1AGPAT2KDM4EKMT2A
SCHEMBL9566448 0.75 KDM4E (0.58) NPC1DHFRALDH1A1KDM4EHSD17B10
SCHEMBL3418789 0.75 DYRK1A (0.58) NPC1ALDH1A1DYRK1AKDM4EHPGD
SCHEMBL10822459 0.74 NPC1 (0.53) NPC1RECQLALDH1A1AGPAT2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 — — EP disclosed
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 — — US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 — — US disclosed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 — — WO 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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 NPC1 1115/4885DHFR 2246/4885RECQL 1801/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 NPC1 1115/4885DHFR 2246/4885RECQL 1801/4885

“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.

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