SCHEMBL6888840

SCHEMBL6888840

c1cnc2c(c1)Oc1cc(NCc3ccnc4ccccc34)ccc1S2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.36
KDM4E B2RXH2 5/20 0.36
KMT2A Q03164 4/20 0.36
FLT1 P17948 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 2/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
RAF1 P04049 1/20 0.35
LCK P06239 1/20 0.35
RET P07949 1/20 0.35
CYP3A4 P08684 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL7551761 0.94 MEN1 (0.40) KDRKMT2AFLT1ALDH1A1MAPT
SCHEMBL6493285 0.89 LOXL2 (0.38) KDRFLT1MAPTLOXL2RAF1
SCHEMBL6481800 0.87 KMT2A (0.41) KDRKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL6491246 0.82 VCP (0.37) KDM4EKMT2AALDH1A1MAPTUSP2
SCHEMBL6530022 0.81 LOXL2 (0.44) KDRKDM4EKMT2AFLT1L3MBTL1
SCHEMBL6775284 0.80 KDM4E (0.48) KDRKDM4EKMT2AALDH1A1MAPT
SCHEMBL6495113 0.77 MAPT (0.36) KDM4EKMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL7551759 0.75 LMNA (0.33) KMT2ALMNALOXL2CYP3A4MEN1
SCHEMBL6888837 0.73 NCF1 (0.31)
SCHEMBL6482039 0.72 LOXL2 (0.42) KDRKDM4EKMT2AFLT1ALDH1A1

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 5 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-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 KDR 1823/4885KDM4E 1279/4885KMT2A 412/4885

“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.