SCHEMBL9911925

SCHEMBL9911925

CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)O)ccc3Cl)cn12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 9/20 0.40
CSNK1E P49674 9/20 0.40
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
EPHB3 P54753 1/20 0.39
TGFBR1 P36897 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
SLC2A1 P11166 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
SCHEMBL9911924 0.89 MAPK14 (0.44) CSNK1DCSNK1ETGFBR1MAPK14GABRA1
SCHEMBL9911923 0.87 HPSE (0.40) CSNK1DCSNK1ECDK2TGFBR1
SCHEMBL2437954 0.86 DGAT2 (0.42) CSNK1DCSNK1EEPHB3TGFBR1CYP1A2
SCHEMBL9911930 0.84 EPHB3 (0.42) CSNK1DCSNK1EEPHB3CYP1A2CYP2C9
SCHEMBL2466021 0.83 PIK3CG (0.45) CSNK1DCSNK1EEPHB3TGFBR1MAPK14
SCHEMBL9911932 0.83 CSNK1D (0.41) CSNK1DCSNK1ECDK2EPHB3TGFBR1
SCHEMBL9911933 0.82 MAPK14 (0.42) CSNK1DCSNK1ETGFBR1MAPK14
SCHEMBL2464710 0.80 CSNK1D (0.44) CSNK1DCSNK1ETGFBR1GABRA1GABRB2
SCHEMBL12164434 0.79 EPHB3 (0.51) CSNK1DCSNK1EEPHB3CYP1A2CYP2C9
SCHEMBL9911934 0.77 KDM4E (0.38) EPHB3TGFBR1CYP1A2CYP2C9CYP2C19

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 13 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-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-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 CSNK1D 1209/4885CSNK1E 884/4885CDK4 1630/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CSNK1D 1209/4885CSNK1E 884/4885CDK4 1630/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CSNK1D 1209/4885CSNK1E 884/4885CDK4 1630/4885

“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.