SCHEMBL311121

SCHEMBL311121

N#Cc1ccc(C(=O)CN)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.66
CA2 P00918 3/20 0.55
CA1 P00915 2/20 0.55
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
RAB9A P51151 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
POLB P06746 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
Hydrochloric Acid SCHEMBL5416846 0.98 GSK3B (0.63) GSK3BCA2CA1PARP15PARP10
SCHEMBL12295928 0.83 MMP2 (0.46) GSK3BRAB9AALDH1A1MEN1KMT2A
SCHEMBL11983785 0.83 GSK3B (0.70) GSK3BCA2CA1PARP15PARP10
SCHEMBL319223 0.81 GSK3B (0.68) GSK3BCA2CA1PARP15PARP10
SCHEMBL3362638 0.80 GSK3B (0.61) GSK3BCA2CA1PARP15PARP10
SCHEMBL11060488 0.80 GSK3B (0.61) GSK3BCA2CA1PARP15PARP10
Hydrochloric Acid SCHEMBL13738814 0.79 GSK3B (0.42) GSK3BRAB9AALDH1A1MAPTPOLB
SCHEMBL8286989 0.79 GSK3B (0.66) GSK3BCA2CA1PARP15PARP10
SCHEMBL1657827 0.79 GSK3B (0.66) GSK3BCA2CA1PARP15PARP10
SCHEMBL13545641 0.79 GSK3B (0.66) GSK3BCA2CA1PARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2020-04-28 US disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 WO disclosed
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 US disclosed
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2019-09-10 US disclosed
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease OHIO UNIVERSITY (US) 2019-08-27 US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 US disclosed
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2017-07-27 US disclosed
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 US disclosed
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 US disclosed
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OHIO UNIVERSITY (US) 2017-07-13 US disclosed
US-8455525-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2013-06-04 US disclosed
US-20130116288-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2013-05-09 US disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20120004270-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2012-01-05 US disclosed
US-20110224267-A1 Selective androgen receptor modulators Radius Health,Inc. (US) 2011-09-15 US disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
EP-1248787-A2 NOVEL SUBTITUTED PYRAZOLO[4, 3-E]DIAZEPINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, USE AS MEDICINAL PRODUCTS AND PROCESSES FOR PREPARING THEM WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001049689-A2 NOVEL SUBSTITUTED PYRAZOLO[4,3-e]DIAZEPINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, USE AS MEDICINAL PRODUCTS AND PROCESSES FOR PREPARING THEM WARNER-LAMBERT COMPANY (US) 2001-07-12 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 (14 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-20120004270-A1 Selective Androgen Receptor Modulators AR, NR3C2, NR5A1 GSK3B 736/4885CA2 1615/4885CA1 4143/4885
US-20120270868-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA GSK3B 145/4885CA2 1328/4885CA1 4684/4885
US-20110224267-A1 Selective androgen receptor modulators AR, SHBG, GPR119 GSK3B 915/4885CA2 1838/4885CA1 3733/4885
US-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 GSK3B 546/4885CA2 4058/4885CA1 4692/4885
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease FABP1, LIPC, SLC10A1 GSK3B 1342/4885CA2 3093/4885CA1 3366/4885
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 GSK3B 725/4885CA2 3861/4885CA1 4871/4885
US-20130116288-A1 Selective Androgen Receptor Modulators AR, SHBG, IGF1R GSK3B 885/4885CA2 2507/4885CA1 3946/4885
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE FABP1, LIPC, SLC10A1 GSK3B 1342/4885CA2 3093/4885CA1 3366/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 GSK3B 724/4885CA2 3847/4885CA1 4870/4885
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING FGFR1, TYRO3, STAT6 GSK3B 799/4885CA2 3940/4885CA1 4874/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 GSK3B 546/4885CA2 4058/4885CA1 4692/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 GSK3B 799/4885CA2 3940/4885CA1 4874/4885
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP GSK3B 1/4885CA2 2222/4885CA1 1582/4885
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE GLUL, GLS2, GLS GSK3B 1632/4885CA2 2175/4885CA1 1699/4885

“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.