SCHEMBL17014444

SCHEMBL17014444

O=c1[nH]c([C@@H]2CCCN2)nc2ccc(Br)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 13/20 0.64
PIM1 P11309 7/20 0.64
CSNK2B P67870 6/20 0.64
CSNK2A1 P68400 6/20 0.64
SCN10A Q9Y5Y9 1/20 0.48
DYRK1A Q13627 3/20 0.47
CIT O14578 1/20 0.47
CYP1A2 P05177 1/20 0.47
CSNK2A2 P19784 1/20 0.47
GSK3B P49841 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
CCNE1 P24864 7/20 0.45
CDK2 P24941 7/20 0.45
ROCK1 Q13464 7/20 0.45
DBF4 Q9UBU7 7/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL15586487 1.00 CDC7 (0.64) CDC7PIM1CSNK2BCSNK2A1SCN10A
SCHEMBL2044946 0.90 CDC7 (0.60) CDC7PIM1CSNK2BCSNK2A1SCN10A
SCHEMBL28013933 0.90 CDC7 (0.60) CDC7PIM1CSNK2BCSNK2A1SCN10A
SCHEMBL16577536 0.81 ROCK2 (0.53) CDC7PIM1CSNK2BCSNK2A1GAA
SCHEMBL203888 0.81 SCN10A (0.66) CDC7PIM1CSNK2BCSNK2A1SCN10A
SCHEMBL2706817 0.81 SCN10A (0.66) CDC7PIM1CSNK2BCSNK2A1SCN10A
SCHEMBL25151752 0.80 ROCK2 (0.52) CDC7PIM1CSNK2BCSNK2A1GAA
SCHEMBL29499007 0.80 ROCK2 (0.52) CDC7PIM1CSNK2BCSNK2A1GAA
SCHEMBL25151723 0.80 ROCK2 (0.52) CDC7PIM1CSNK2BCSNK2A1GAA
SCHEMBL12098828 0.79 SCN10A (0.55) CDC7PIM1CSNK2BCSNK2A1SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900656-B1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-17 EP disclosed
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 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 (1 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-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD CDC7 3003/4885PIM1 4168/4885CSNK2B 1600/4885

“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.