SCHEMBL1936372

SCHEMBL1936372

COC(=O)c1cccc(-c2cnc3oc(-c4ccc(F)cc4)c(C=O)c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.48
NEK1 Q96PY6 5/20 0.47
CDK8 P49336 1/20 0.45
AXL P30530 1/20 0.45
SGK1 O00141 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
SDHB P21912 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NPY5R Q15761 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL1936702 0.87 NEK1 (0.49) ERN1NEK1CDK8AXLSGK1
SCHEMBL1936172 0.86 NEK1 (0.48) ERN1NEK1CDK8AXLSGK1
SCHEMBL1935982 0.84 NEK1 (0.46) NEK1CDK8AXLSGK1CAMKK2
SCHEMBL1936347 0.82 ADCY8 (0.40)
SCHEMBL9911873 0.76 BTK (0.43)
SCHEMBL1936301 0.74 TYRO3 (0.46) CDK8AXLMRGPRX4
SCHEMBL1936296 0.74 AXL (0.45) AXLMRGPRX4MAP2K4
SCHEMBL7816934 0.73 CA12 (0.64) ERN1CDK8GABRG2GABRB3GABRA5
SCHEMBL1936252 0.71 ABL1 (0.43) SGK1CAMKK2PIK3CDPIK3CAMTOR
SCHEMBL1935043 0.71 CYP3A4 (0.42) CDK8

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 ERN1 718/4885NEK1 2677/4885CDK8 1389/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ERN1 718/4885NEK1 2677/4885CDK8 1389/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ERN1 718/4885NEK1 2677/4885CDK8 1389/4885

“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.