SCHEMBL6495200

SCHEMBL6495200

c1ccc(CNc2ccc3c(c2)CCc2ccccc2N3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.48
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
MAOA P21397 3/20 0.45
KIF11 P52732 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
DHFR P00374 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41

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
SCHEMBL6492085 0.87 KIF11 (0.46) HSD17B3KIF11MEN1KMT2AKDM4E
SCHEMBL21686955 0.86 KIF11 (0.60) MAOAKIF11MAOBDDB1CRBN
SCHEMBL31341356 0.86 KIF11 (0.60) MAOAKIF11MAOBDDB1CRBN
SCHEMBL6492238 0.86 MAPT (0.51) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL6492117 0.85 INSR (0.49) HSD17B3MEN1KMT2AKDM4EGAA
SCHEMBL6493253 0.84 NPC1 (0.45) HSD17B3PTPN1PTPN11KIF11MEN1
SCHEMBL6482635 0.84 MAPT (0.63) KIF11MEN1KMT2AKDM4EGAA
SCHEMBL6481769 0.83 MAPT (0.50) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL6482145 0.81 ADRA2A (0.56) MAOAMEN1KMT2AKDM4EGAA
SCHEMBL6482053 0.81 MEN1 (0.42) KIF11MEN1KMT2AKDM4EGAA

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
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 HSD17B3 1126/4885PTPN1 3460/4885PTPN11 2877/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 HSD17B3 2153/4885PTPN1 3141/4885PTPN11 2772/4885

“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.