SCHEMBL6452075

SCHEMBL6452075

COc1cccc(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
NR1H3 Q13133 1/20 0.55
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
DCUN1D1 Q96GG9 1/20 0.49
RPS6KA3 P51812 1/20 0.44
DGAT2 Q96PD7 3/20 0.44
CYP19A1 P11511 1/20 0.42
GRK6 P43250 1/20 0.42
TEK Q02763 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6452381 0.83 SMN1; SMN2 (0.52) NR1H2NR1H3DCUN1D1CYP19A1NPC1
SCHEMBL6449912 0.83 GRK6 (0.46) NR1H2NR1H3RPS6KA3GRK6TEK
SCHEMBL6452904 0.83 GRK6 (0.44) GRK6TEKNPC1MAPT
SCHEMBL6454834 0.82 GRK6 (0.45) CYP19A1GRK6TEKNPC1RAB9A
SCHEMBL6448731 0.79 NR1H2 (0.56) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL6449759 0.79 MAPT (0.52) GRK6NPC1RAB9ACYP1A2CYP3A4
SCHEMBL6453081 0.78 SMN1; SMN2 (0.44) NR1H2NR1H3RPS6KA3NPC1RAB9A
SCHEMBL6450295 0.77 KDM4E (0.41) DCUN1D1SLC22A12MAPT
SCHEMBL17279794 0.76 NR1H2 (0.86) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL6453811 0.76 NR1H2 (0.49) NR1H2NR1H3NPC1RAB9AMAPT

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 NR1H2 34/4885NR1H3 24/4885ADORA2A 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.