SCHEMBL6481801

SCHEMBL6481801

Cc1cccnc1CNc1ccc2c(c1)Oc1ccccc1S2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BRD4 O60885 1/20 0.35
IGF1R P08069 1/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
ADORA2A P29274 4/20 0.33
ADORA1 P30542 3/20 0.33
VCP P55072 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6491982 0.83 MAPT (0.43) MAOBMAPTRAB9AKDM4EHPGD
SCHEMBL6495923 0.81 PTPN11 (0.52) MAOAMAOBCYP1A2CYP3A4MAPT
SCHEMBL6491246 0.81 VCP (0.37) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL6490725 0.77 MAPT (0.57) MAPTNPC1RAB9AKDM4EHPGD
SCHEMBL6493435 0.76 ALDH1A1 (0.57) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL6491307 0.76 PTPN1 (0.46) MAOAMAOBCYP1A2CYP2D6
SCHEMBL6493285 0.75 LOXL2 (0.38) CYP3A4MAPTRAB9ABRD4KDR
SCHEMBL6494311 0.74 MAPT (0.42) MAOBCYP1A2CYP3A4MAPTCYP2C9
SCHEMBL6482929 0.73 MAPT (0.54) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL6495422 0.73 UTS2R (0.40) CYP1A2CYP3A4MAPTCYP2C9CYP2C19

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-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-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 (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 MAOA 393/4885MAOB 428/4885CYP1A2 649/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 MAOA 1452/4885MAOB 1587/4885CYP1A2 2938/4885

“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.