SCHEMBL6484197

SCHEMBL6484197

c1ccc(CNc2ccc3c(c2)Cc2ccccc2-3)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.56
MAOA P21397 4/20 0.54
MAOB P27338 3/20 0.54
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
CYP1A2 P05177 5/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
MAPT P10636 3/20 0.52
CYP2D6 P10635 1/20 0.52
HIF1A Q16665 1/20 0.52
DHFR P00374 1/20 0.47
KDM4E B2RXH2 6/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADRA2A P08913 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL6481656 0.80 KDM4E (0.56) MAOANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6484751 0.79 DHFR (0.49) MAOAMAOBNPC1RAB9ACYP1A2
SCHEMBL6491260 0.78 MAOA (0.55) PTPN11MAOANPC1RAB9ACYP1A2
SCHEMBL6490795 0.77 TRPM5 (0.49) PTPN11MAOAMAOBNPC1RAB9A
SCHEMBL6494949 0.77 DHFR (0.45) MAOAMAOBNPC1RAB9ACYP1A2
SCHEMBL6496681 0.76 LTA4H (0.56) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL7763929 0.74 CYP1A2 (0.61) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL27585673 0.74 RAB9A (0.60) MAOANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6482117 0.73 DHFR (0.54) MAOANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6490390 0.73 CYP1A2 (0.49) MAOANPC1RAB9ACYP1A2CYP3A4

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 10 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-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-20050261331-A1 Substituted pyrrolopyridines ASTRAZENECA AB (SE) 2005-11-24 US disclosed
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
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 (3 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 PTPN11 2877/4885MAOA 393/4885MAOB 428/4885
US-20050261331-A1 Substituted pyrrolopyridines ITK, WEE1, PDPK1 PTPN11 565/4885MAOA 2840/4885MAOB 1776/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 PTPN11 2772/4885MAOA 1452/4885MAOB 1587/4885

“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.