SCHEMBL9911908

SCHEMBL9911908

CNC(=O)c1c2cc(-c3cccc(C(=O)NC4(c5ccccn5)CC4)c3)ccc2nn1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 6/20 0.51
CYP3A4 P08684 5/20 0.51
KCNH2 Q12809 3/20 0.51
NR1I2 O75469 1/20 0.51
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
DGAT2 Q96PD7 5/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
ADORA2A P29274 1/20 0.37
LIPG Q9Y5X9 1/20 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
SCHEMBL9911905 0.79 DGAT2 (0.46) DGAT2PIK3CDPIK3CAMTOR
SCHEMBL10242001 0.78 CYP2C8 (0.80) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL9911906 0.77 DGAT2 (0.41) DGAT2PIK3CDPIK3CAMTOR
SCHEMBL14977765 0.75 CYP2C8 (0.47) CYP2C8CYP3A4KCNH2NR1I2CNR1
SCHEMBL17340639 0.74 CYP2C8 (0.70) CYP2C8CYP3A4KCNH2NR1I2ADORA2A
SCHEMBL1936692 0.73 CYP2C8 (0.70) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL12164633 0.72 CYP2C8 (0.51) CYP2C8CYP3A4KCNH2NR1I2ADORA2A
SCHEMBL1937027 0.71 CYP2C8 (0.66) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL2140231 0.71 CYP2C8 (0.77) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL9911914 0.70 CYP2C8 (0.49) CYP2C8CYP3A4KCNH2NR1I2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-20120232099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-09-13 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US 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 (3 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-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885

“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.