SCHEMBL4387879

SCHEMBL4387879

[CH2]c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
PIN1 Q13526 1/20 0.44
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
RHEB Q15382 1/20 0.43
CYP19A1 P11511 2/20 0.42
MAPK10 P53779 4/20 0.42
CHUK O15111 1/20 0.41
CSNK1A1 P48729 2/20 0.41
CSNK1D P48730 2/20 0.41
GSK3B P49841 2/20 0.41
CSNK1G2 P78368 2/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 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
SCHEMBL27306100 0.80 IMPDH2 (0.44) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL1794997 0.80 CSNK1D (0.47) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL3987184 0.80 IMPDH2 (0.44) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL2712161 0.80 PIN1 (0.46) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL11249156 0.80 MASP2 (0.48) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL1245512 0.80 RHEB (0.49) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL9063730 0.79 GRIN1 (0.51) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL22962145 0.77 IMPDH2 (0.42) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL15625905 0.76 MAPK10 (0.44) IMPDH2IMPDH1PIN1PKN1PKN2
SCHEMBL7653718 0.76 TDP1 (0.47) IMPDH2IMPDH1PIN1PKN1PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US claimed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
EP-3131896-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2019-01-30 EP disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-9808445-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-20170129880-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME LLC 2017-05-11 US disclosed
EP-3131896-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 EP disclosed
EP-3131897-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 EP disclosed
US-20170027916-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 US disclosed
WO-2015160634-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 WO disclosed
WO-2015160636-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 WO disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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-20170129880-A1 FACTOR IXa INHIBITORS F9, F12, TFPI IMPDH2 4351/4885IMPDH1 4227/4885PIN1 1592/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L IMPDH2 2741/4885IMPDH1 2279/4885PIN1 3840/4885
US-20170027916-A1 FACTOR IXa INHIBITORS F9, F12, TFPI IMPDH2 4351/4885IMPDH1 4227/4885PIN1 1592/4885

“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.