SCHEMBL9953126

SCHEMBL9953126

COc1ccc(-c2nc[c]s2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.49
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CYP19A1 P11511 2/20 0.44
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PIK3CA P42336 3/20 0.40
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
NNMT P40261 1/20 0.40
FYN P06241 2/20 0.39
KDR P35968 2/20 0.39
TEK Q02763 1/20 0.39
PTPN1 P18031 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
SCHEMBL9199525 0.79 CLK4 (0.50) CYP19A1
SCHEMBL9952725 0.77 FTO (0.36) CYP19A1PIK3CA
SCHEMBL3754419 0.75 CYP2A6 (0.68) CYP2A6MKNK1MKNK2CYP19A1HSD17B1
SCHEMBL31174412 0.75 CYP2A6 (0.68) CYP2A6MKNK1MKNK2CYP19A1HSD17B1
SCHEMBL5917519 0.75 CYP2A6 (0.50) CYP2A6MKNK1MKNK2CYP19A1HSD17B1
SCHEMBL2753514 0.73 ALDH1A1 (0.45) PDGFRBPDGFRACA1CA2
SCHEMBL2753831 0.72 CYP1A1 (0.47) CYP2A6
SCHEMBL13575354 0.71 CYP2A6 (0.58) CYP2A6MKNK1MKNK2CYP19A1HSD17B1
SCHEMBL1422493 0.71 MKNK1 (0.59) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL17206220 0.70 DYRK1A (0.57) CYP2A6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 WO 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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 CYP2A6 1011/4885MKNK1 3242/4885MKNK2 3667/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 CYP2A6 1011/4885MKNK1 3242/4885MKNK2 3667/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 CYP2A6 1011/4885MKNK1 3242/4885MKNK2 3667/4885

“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.