SCHEMBL6453065

SCHEMBL6453065

Oc1ccc(Br)cc1-c1nc(-c2cnccn2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.46
IDO1 P14902 1/20 0.45
ADORA2A P29274 2/20 0.40
HPGD P15428 6/20 0.40
MAPT P10636 6/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MCL1 Q07820 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38

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
SCHEMBL6448741 0.90 GRK6 (0.43) GRK6ADORA2AHPGDMAPTKDM4E
SCHEMBL6449080 0.85 GRK6 (0.46) GRK6IDO1ADORA2AHPGDMAPT
SCHEMBL6448693 0.85 IDO1 (0.45) IDO1ADORA2AMAPTMAPK1SMN1; SMN2
SCHEMBL6448721 0.85 IDO1 (0.47) IDO1ADORA2AHPGDMAPTLMNA
SCHEMBL6452734 0.84 SMN1; SMN2 (0.58) GRK6IDO1ADORA2AHPGDMAPT
SCHEMBL6451507 0.82 GABRA1 (0.39) GRK6ADORA2ASMN1; SMN2F2F10
SCHEMBL6451421 0.82 GRK6 (0.48) GRK6ADORA2AHPGDMAPTLMNA
SCHEMBL6449765 0.82 ADORA2A (0.38) GRK6ADORA2AHPGDMAPTKDM4E
SCHEMBL6452609 0.82 ADORA2A (0.58) IDO1ADORA2AHPGDKDM4ETP53
SCHEMBL6451279 0.80 GRK6 (0.50) GRK6IDO1ADORA2AHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC GRK6 2654/4885IDO1 2394/4885ADORA2A 1442/4885

“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.