SCHEMBL13677328

SCHEMBL13677328

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 5/20 0.46
▸ CSNK1G2 P78368 4/20 0.46
▸ CSNK1A1 P48729 3/20 0.46
▸ GSK3B P49841 3/20 0.46
▸ CFB P00751 6/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ IMPDH2 P12268 1/20 0.41
▸ IMPDH1 P20839 1/20 0.41
▸ PIN1 Q13526 1/20 0.40
▸ MAPK10 P53779 2/20 0.40

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
SCHEMBL803692 0.87 CSNK1D (0.59) CSNK1DCSNK1G2CSNK1A1GSK3BCFB
SCHEMBL15625905 0.84 MAPK10 (0.44) CSNK1DCSNK1G2CSNK1A1GSK3BCFB
SCHEMBL7655142 0.84 NPSR1 (0.53) CFBL3MBTL1ALDH1A1SMN1; SMN2IMPDH2
SCHEMBL1794997 0.78 CSNK1D (0.47) CSNK1DCSNK1G2CSNK1A1GSK3BALDH1A1
SCHEMBL23619188 0.78 ALDH1A1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL21705379 0.77 HDAC6 (0.59) CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL31027982 0.77 HDAC6 (0.59) CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL4387879 0.76 IMPDH2 (0.46) CSNK1DCSNK1G2CSNK1A1GSK3BIMPDH2
SCHEMBL10005347 0.76 ALDH1A1 (0.46) L3MBTL1ALDH1A1SMN1; SMN2PIN1
SCHEMBL846855 0.76 SCN10A (0.58) L3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 — — EP disclosed
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-04-21 — — US disclosed
US-11248000-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2022-02-15 — — US disclosed
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-03-30 — — US disclosed
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-12 — — US disclosed
US-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2020-07-23 — — US disclosed
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-28 — — US disclosed
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-09 — — US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 — — US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-7217720-B2 17-heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-05-15 — — 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 CSNK1D 722/4885CSNK1G2 1098/4885CSNK1A1 664/4885
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION XBP1, RNASE1, ERN1 CSNK1D 4212/4885CSNK1G2 3300/4885CSNK1A1 3200/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CSNK1D 616/4885CSNK1G2 911/4885CSNK1A1 588/4885
US-11248000-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB CSNK1D 3021/4885CSNK1G2 2659/4885CSNK1A1 2733/4885
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS CFB, TFPI, MAOB CSNK1D 3021/4885CSNK1G2 2659/4885CSNK1A1 2733/4885
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB CSNK1D 3021/4885CSNK1G2 2659/4885CSNK1A1 2733/4885
US-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES APLNR, AP3B1, AP2B1 CSNK1D 1270/4885CSNK1G2 930/4885CSNK1A1 1257/4885
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB CSNK1D 3021/4885CSNK1G2 2659/4885CSNK1A1 2733/4885
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB CSNK1D 3021/4885CSNK1G2 2659/4885CSNK1A1 2733/4885

“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.

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