SCHEMBL1935982

SCHEMBL1935982

CNC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3cccc(C(=O)OC)c3)cc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 5/20 0.46
CDK8 P49336 1/20 0.44
AXL P30530 1/20 0.44
SGK1 O00141 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
KCNH2 Q12809 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 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
SCHEMBL1936301 0.90 TYRO3 (0.46) CDK8AXLCYP3A4CYP2C8KCNH2
SCHEMBL1935043 0.87 CYP3A4 (0.42) CDK8CYP3A4CYP2C8KCNH2
SCHEMBL1936702 0.86 NEK1 (0.49) NEK1CDK8AXLSGK1CAMKK2
SCHEMBL1936172 0.85 NEK1 (0.48) NEK1CDK8AXLSGK1CAMKK2
SCHEMBL1918970 0.85 CYP3A4 (0.51) CYP3A4CYP2C8KCNH2
SCHEMBL1936372 0.84 ERN1 (0.48) NEK1CDK8AXLSGK1CAMKK2
SCHEMBL1935460 0.83 CYP3A4 (0.41) CDK8CYP3A4CYP2C8KCNH2
SCHEMBL17108292 0.83 NPC1 (0.40) CYP3A4CYP2C8KCNH2
SCHEMBL2992685 0.82 CYP2C8 (0.62) CYP3A4CYP2C8KCNH2
SCHEMBL18809708 0.81 CYP3A4 (0.44) CYP3A4CYP2C8KCNH2

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 10 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
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP 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
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
EP-2331502-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-15 EP 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

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 NEK1 2677/4885CDK8 1389/4885AXL 4144/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NEK1 2677/4885CDK8 1389/4885AXL 4144/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NEK1 2677/4885CDK8 1389/4885AXL 4144/4885

“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.