SCHEMBL6775284

SCHEMBL6775284

c1cnc2c(c1)Oc1cc(NCc3ccncc3)ccc1S2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
GAA P10253 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PABPC1 P11940 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDR P35968 6/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 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
SCHEMBL6491246 0.81 VCP (0.37) KDM4EALDH1A1MAPTGAAHTT
SCHEMBL6481800 0.80 KMT2A (0.41) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL6888840 0.80 KDR (0.36) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL6495113 0.79 MAPT (0.36) KDM4EALDH1A1MAPTNPSR1HTT
SCHEMBL6528948 0.76 KDM4E (0.64) KDM4EALDH1A1MAPTGAANPSR1
SCHEMBL7551761 0.75 MEN1 (0.40) ALDH1A1MAPTMEN1KMT2AKDR
SCHEMBL6493435 0.75 ALDH1A1 (0.57) KDM4EALDH1A1MAPTGAANPSR1
SCHEMBL6491307 0.74 PTPN1 (0.46) ALDH1A1GAAHTT
SCHEMBL6495923 0.72 PTPN11 (0.52) KDM4EALDH1A1MAPTGAANPSR1
SCHEMBL11661521 0.71 AHR (0.40) KDM4EALDH1A1MAPTHSD17B10HPGD

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
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO claimed
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
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 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 (1 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 KDM4E 1279/4885ALDH1A1 4486/4885MAPT 2337/4885

“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.