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
SCHEMBL7655142 0.84 NPSR1 (0.53) CFBL3MBTL1ALDH1A1SMN1; SMN2IMPDH2
SCHEMBL15625905 0.84 MAPK10 (0.44) CSNK1DCSNK1G2CSNK1A1GSK3BCFB
SCHEMBL1794997 0.78 CSNK1D (0.47) CSNK1DCSNK1G2CSNK1A1GSK3BALDH1A1
SCHEMBL23619188 0.78 ALDH1A1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL31027982 0.77 HDAC6 (0.59) CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL21705379 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.