SCHEMBL259600

SCHEMBL259600

Cc1cn2ccnc2nc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.41
KDM4E B2RXH2 12/20 0.41
RAB9A P51151 9/20 0.41
NPC1 O15118 8/20 0.41
GAA P10253 6/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 7/20 0.38
GLA P06280 5/20 0.38
POLB P06746 2/20 0.38
DYRK1A Q13627 1/20 0.38
HPGD P15428 10/20 0.37
HSD17B10 Q99714 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
RCE1 Q9Y256 1/20 0.34
GFER P55789 1/20 0.32

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
SCHEMBL6217346 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL13370817 0.80 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL22032886 0.80 L3MBTL1 (0.41) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL15688379 0.80 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL15688194 0.80 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL25092575 0.80 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL17626630 0.80 NUDT1 (0.41) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL18881756 0.77 ALDH1A1 (0.37) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL9611722 0.70 ALDH1A1 (0.36) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL25349450 0.68 KDM4E (0.44) ALDH1A1KDM4ERAB9ANPC1GAA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9669029-B2 Heteroaromatic phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2017-06-06 US disclosed
EP-3159345-A1 INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2017-04-26 EP disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-9592230-B2 Substituted imidazoles as PDE10A inhibitors H. LUNDBECK A/S (DK) 2017-03-14 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 WO disclosed
US-20120309714-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-12-06 US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-05-31 US disclosed
US-8133897-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-03-13 US disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 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 (9 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-20120309714-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors PDE10A, PDE3B, PDE4A ALDH1A1 64/4885KDM4E 786/4885RAB9A 1125/4885
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B ALDH1A1 65/4885KDM4E 356/4885RAB9A 722/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885KDM4E 3280/4885RAB9A 1219/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885KDM4E 3280/4885RAB9A 1219/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B ALDH1A1 65/4885KDM4E 356/4885RAB9A 722/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 ALDH1A1 719/4885KDM4E 2297/4885RAB9A 658/4885
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC ALDH1A1 200/4885KDM4E 2585/4885RAB9A 1069/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885KDM4E 3280/4885RAB9A 1219/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC ALDH1A1 200/4885KDM4E 2585/4885RAB9A 1069/4885

“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.