SCHEMBL6448701

SCHEMBL6448701

Nc1cccnc1-c1n[nH]c(-c2cc(Br)ccc2O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.44
PIM1 P11309 1/20 0.40
ADORA2A P29274 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
PRSS1 P07477 1/20 0.39
HPGD P15428 6/20 0.38
MAPT P10636 6/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 2/20 0.37
TSHR P16473 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL6450762 0.88 GRK6 (0.46) GRK6PIM1ADORA2AF2F10
SCHEMBL6458727 0.86 GRK6 (0.44) GRK6PIM1ADORA2AF2F10
SCHEMBL6451279 0.83 GRK6 (0.50) GRK6PIM1ADORA2AF2F10
SCHEMBL6450068 0.83 GRK6 (0.42) GRK6ADORA2AF2F10PLG
SCHEMBL6452557 0.81 GRK6 (0.43) GRK6ADORA2AHPGDMAPTKDM4E
SCHEMBL6459163 0.81 GRK6 (0.42) GRK6ADORA2ALMNAKMT2ASMN1; SMN2
SCHEMBL6450301 0.80 GRK6 (0.43) GRK6PIM1ADORA2AF2F10
SCHEMBL6452734 0.79 SMN1; SMN2 (0.58) GRK6PIM1ADORA2AHPGDMAPT
SCHEMBL6448384 0.76 IDO1 (0.41) GRK6ADORA2AF2F10PLG
SCHEMBL6450613 0.76 GRK6 (0.44) GRK6ADORA2AF2F10PLG

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 2654/4885PIM1 2886/4885ADORA2A 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.