SCHEMBL6494949

SCHEMBL6494949

c1ccc2c(c1)Cc1cc(NCc3ccc4ccccc4n3)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 2/20 0.45
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TP53 P04637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOA P21397 2/20 0.43
ADRA2A P08913 1/20 0.43

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
SCHEMBL6484197 0.77 PTPN11 (0.56) DHFRCYP3A4CYP1A2NPC1RAB9A
SCHEMBL6491260 0.75 MAOA (0.55) DHFRCYP3A4CYP1A2NPC1RAB9A
SCHEMBL6481656 0.74 KDM4E (0.56) DHFRCYP3A4CYP1A2NPC1RAB9A
SCHEMBL4371435 0.74 MAOA (0.51) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7250376 0.72 RAB9A (0.40) CYP3A4CYP1A2NPC1RAB9AKDM4E
SCHEMBL27585673 0.71 RAB9A (0.60) DHFRCYP3A4CYP1A2NPC1RAB9A
SCHEMBL6482117 0.70 DHFR (0.54) DHFRCYP3A4CYP1A2NPC1RAB9A
SCHEMBL6490390 0.70 CYP1A2 (0.49) DHFRCYP3A4CYP1A2NPC1RAB9A
SCHEMBL6494134 0.70 MAPT (0.55) DHFRCYP3A4CYP1A2NPC1RAB9A
SCHEMBL6495966 0.70 CYP1A2 (0.49) DHFRCYP3A4CYP1A2NPC1RAB9A

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 DHFR 666/4885CYP3A4 1179/4885CYP1A2 649/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 DHFR 431/4885CYP3A4 1780/4885CYP1A2 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.