SCHEMBL6448827

SCHEMBL6448827

COc1ccc(F)c(-c2nc(-c3ncccc3Br)n[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.47
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
PIM1 P11309 1/20 0.38
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 0.37
TUBB2B Q9BVA1 2/20 0.37
TUBB1 Q9H4B7 2/20 0.37
ITK Q08881 2/20 0.37

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
SCHEMBL6448919 0.88 GRK6 (0.47) GRK6NR1H2NR1H3PIM1TUBB4A
SCHEMBL6450070 0.87 GRK6 (0.47) GRK6NR1H2NR1H3NPC1RAB9A
SCHEMBL6450529 0.85 GRK6 (0.46) GRK6NR1H2NR1H3TUBB4ATUBB
SCHEMBL6449668 0.81 SMN1; SMN2 (0.55) GRK6NR1H2NR1H3NPY5RNPC1
SCHEMBL7152896 0.81 NR1H2 (0.60) GRK6NR1H2NR1H3AURKANPY5R
SCHEMBL6454610 0.74 GAA (0.51) GRK6NR1H2NR1H3NPC1RAB9A
SCHEMBL6450029 0.74 KDM4E (0.43) NR1H2NR1H3TUBB4ATUBBTUBA3C
SCHEMBL6448909 0.74 GRK6 (0.49) GRK6NR1H2NR1H3NPC1RAB9A
SCHEMBL6448384 0.74 IDO1 (0.41) GRK6NR1H2NR1H3NPY5RNPC1
SCHEMBL6450017 0.73 GRK6 (0.44) GRK6NR1H2NR1H3NPC1RAB9A

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 2654/4885NR1H2 34/4885NR1H3 24/4885

“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.