SCHEMBL6483263

SCHEMBL6483263

CNc1ccc2oc3ccc(NCc4ccccc4C#N)cc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
MAOB P27338 6/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
ALB P02768 1/20 0.37
KMT2A Q03164 1/20 0.36
IDH1 O75874 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.35
P2RX7 Q99572 1/20 0.35
MAPT P10636 2/20 0.35
CYP19A1 P11511 1/20 0.35
GAA P10253 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6493698 0.90 KMT2A (0.42) LRRK2MAOBCCNT1CDK9ALB
SCHEMBL6769603 0.86 BRD4 (0.42) LRRK2MAOBCCNT1CDK9KMT2A
SCHEMBL6483858 0.86 IDH1 (0.40) LRRK2MAOBCCNT1CDK9KMT2A
SCHEMBL6483960 0.82 MAOB (0.45) MAOBALBKMT2AALDH1A1KDM4E
SCHEMBL6484206 0.81 MAPT (0.52) MAOBALBKMT2AALDH1A1KDM4E
SCHEMBL6528320 0.80 EGFR (0.44) MAOBALBKMT2AALDH1A1KDM4E
SCHEMBL6492918 0.77 MAOB (0.53) MAOBALDH1A1KDM4EGAAHTT
SCHEMBL6775567 0.76 KMT2A (0.44) MAOBALBKMT2AALDH1A1KDM4E
SCHEMBL6482769 0.76 MAOB (0.41) LRRK2MAOBALBKMT2AALDH1A1
SCHEMBL6700006 0.75 P2RX7 (0.46) LRRK2CCNT1CDK9KMT2AIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed
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 (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 LRRK2 4201/4885MAOB 428/4885CCNT1 1848/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 LRRK2 3225/4885MAOB 1587/4885CCNT1 302/4885

“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.