SCHEMBL9911930

SCHEMBL9911930

CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3ccc(Cl)c(C(=O)O)c3)cn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.42
NR1I3 Q14994 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
MET P08581 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
CSNK1D P48730 5/20 0.38
CSNK1E P49674 5/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL9911929 0.86 HSD17B10 (0.44) EPHB3NR1I3ALDH1A1GABRA1GABRB2
SCHEMBL9911925 0.84 CSNK1D (0.40) EPHB3GABRA1GABRB2CSNK1DCSNK1E
SCHEMBL12164434 0.83 EPHB3 (0.51) EPHB3KDM4EALDH1A1HPGDGABRA1
SCHEMBL2466021 0.83 PIK3CG (0.45) EPHB3CSNK1DCSNK1ESLC2A1
SCHEMBL9911932 0.82 CSNK1D (0.41) EPHB3KCNK3KCNK9CSNK1DCSNK1E
SCHEMBL2464710 0.82 CSNK1D (0.44) KDM4EALDH1A1HPGDGABRA1GABRB2
SCHEMBL9911934 0.79 KDM4E (0.38) EPHB3KDM4EALDH1A1HPGDGABRA1
SCHEMBL2432043 0.78 EPHB3 (0.39) EPHB3NR1I3KDM4EALDH1A1HPGD
SCHEMBL1934822 0.77 EPHB3 (0.45) EPHB3KDM4EALDH1A1HPGDGABRA1
SCHEMBL13459696 0.77 GABRA1 (0.45) KDM4EALDH1A1HPGDGABRA1GABRB2

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 14 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
WO-2010030538-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO 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 EPHB3 1804/4885NR1I3 253/4885KDM4E 4005/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 EPHB3 1804/4885NR1I3 253/4885KDM4E 4005/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 EPHB3 1804/4885NR1I3 253/4885KDM4E 4005/4885

“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.