SCHEMBL6450301

SCHEMBL6450301

Oc1ccc(Br)cc1-c1nc(-c2nccc3ccccc23)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.43
ADORA2A P29274 1/20 0.41
MAPT P10636 5/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
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
PRSS1 P07477 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 2/20 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
SCHEMBL6449802 0.91 GUSB (0.43) GRK6ADORA2AMAPTKDM4EGLA
SCHEMBL6457130 0.86 GRK6 (0.43) GRK6ADORA2AMAPTHPGDKDM4E
SCHEMBL6451195 0.86 ADORA2A (0.41) ADORA2AMAPTKDM4EGLAMAPK1
SCHEMBL6450144 0.86 IDO1 (0.44) ADORA2AMAPTHPGDKDM4ELMNA
SCHEMBL6459671 0.85 ADORA2A (0.57) ADORA2AMAPTHPGDKDM4ETP53
SCHEMBL6450636 0.83 GUSB (0.48) GRK6ADORA2AMAPTHPGDKDM4E
SCHEMBL6451504 0.83 ADORA2A (0.39) ADORA2AMAPTHPGDKDM4EGLA
SCHEMBL6450762 0.82 GRK6 (0.46) GRK6ADORA2AMAPTHPGDKDM4E
SCHEMBL6449907 0.81 GRK6 (0.48) GRK6ADORA2AMAPTHPGDKDM4E
SCHEMBL6450544 0.80 NPC1 (0.40) ADORA2AMAPTHPGDKDM4ELMNA

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 2654/4885ADORA2A 1442/4885MAPT 2805/4885

“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.