SCHEMBL115706

SCHEMBL115706

CC(=O)Nc1ccc(N)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA9 Q16790 1/20 0.63
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
HSD17B10 Q99714 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GFER P55789 1/20 0.54
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 2/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 2/20 0.45

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
SCHEMBL30168178 1.00 CA1 (0.63) CA1CA2CA9MAPTKMT2A
SCHEMBL7569526 0.87 HDAC1 (0.52) CA1CA2CA9MAPTKMT2A
SCHEMBL30641940 0.87 ALDH1A1 (0.58) CA1CA2CA9MAPTKMT2A
SCHEMBL520441 0.87 ALDH1A1 (0.58) CA1CA2CA9MAPTKMT2A
SCHEMBL8966015 0.84 NPC1 (0.54) CA1CA2CA9MAPTHSD17B10
SCHEMBL628743 0.82 NPC1 (0.66) CA1CA2CA9MAPTHSD17B10
SCHEMBL22505690 0.82 MAPT (0.62) CA1CA2CA9MAPTKMT2A
SCHEMBL29822237 0.82 KDM4E (0.66) CA1CA2CA9HSD17B10SMN1; SMN2
SCHEMBL4311940 0.82 KDM4E (0.66) CA1CA2CA9HSD17B10SMN1; SMN2
SCHEMBL9400181 0.82 RAB9A (0.63) CA1CA2CA9MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-4161930-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 EP disclosed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
WO-2021249893-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 WO disclosed
CN-109575463-A A kind of preparation method of mobile phone screen protector 李佳峻 2019-04-05 CN disclosed
CN-102548984-B The inhibitor of PI3 kinases and/or MTOR AMGEN INC. (US) 2015-11-25 CN disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
CN-102827082-B Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2015-01-07 CN disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-4220586-A FASTNESS TO LIGHT, OVER-LACQUERING, MIGRATION, WEATHERING, AND HEAT CIBA-GEIGY CORPORATION (US) 1980-09-02 US disclosed
EP-0014318-A1 Reactive dyestuffs, their preparation and their use for dyeing materials containing hydroxyl or amide groups BAYER AG (DE) 1980-08-20 EP disclosed
US-4173646-A Tricyclicdicarboximides MERCK & CO., INC. (US) 1979-11-06 US disclosed
US-4132799-A TRANQUILIZERS, ANTICONVULSANTS MERCK & CO., INC. (US) 1979-01-02 US disclosed
US-4094636-A DIAZOTIZATION HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-13 US disclosed
US-4080321-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-21 US disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 US disclosed
US-4061763-A TRANQUILIZER, ANTICONVULSANT MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4038240-A PROCESS FOR DYEING POLYURETHANE RESINS BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4006233-A TRANQUILIZER, ANTICONVULSANT MERCK & CO., INC. (US) 1977-02-01 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 (1 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 CA1 4800/4885CA2 2574/4885CA9 4349/4885

“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.