SCHEMBL542567

SCHEMBL542567

COc1c[c]ccc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
THRB P10828 1/20 0.33
ACHE P22303 2/20 0.33
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL316596 0.92 CA12 (0.36) NPSR1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL676940 0.90 ALDH1A1 (0.35) NPSR1ALDH1A1MAPTACHELMNA
SCHEMBL8674 0.83 CA2 (0.46) ALDH1A1MAPTHPGDACHEMAPK1
SCHEMBL1062938 0.82 PDE4B (0.36) KMT2ASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL28251730 0.81 CA2 (0.43) ALDH1A1MAPTHPGDACHEMAPK1
SCHEMBL2138768 0.81 CA2 (0.43) ALDH1A1MAPTHPGDACHEMAPK1
SCHEMBL27494520 0.81 CA2 (0.43) ALDH1A1MAPTHPGDACHEMAPK1
SCHEMBL3463523 0.79 ADRA2A (0.33) NPSR1KMT2AALDH1A1MAPTHPGD
SCHEMBL25438757 0.79 IRAK4 (0.32) ALDH1A1ACHEIRAK4
SCHEMBL4291432 0.79 KMT2A (0.63) KMT2AGAATSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373169-B1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT INC (US) 2015-05-20 EP claimed
US-20140336169-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2014-11-13 US claimed
US-8748607-B2 Imidazopyrizine syk inhibitors GILEAD CONNECTICUT, INC. (US) 2014-06-10 US claimed
US-20130267496-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-10-10 US claimed
US-20130237521-A1 IMIDAZOPYRIZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-09-12 US claimed
US-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-09-12 US claimed
US-8455493-B2 Imidazopyrazine Syk inhibitors GILEAD CONNECTICUT, INC. (US) 2013-06-04 US claimed
EP-2373169-A1 IMIDAZOPYRAZINE SYK INHIBITORS Gilead Connecticut, Inc. (US) 2011-10-12 EP claimed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US claimed
US-20100222323-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2010-09-02 US claimed
WO-2010068257-A1 IMIDAZOPYRAZINE SYK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO claimed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US claimed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-20180086769-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2018-03-29 US disclosed
US-9796718-B2 6-(benzo[d]thiazol-5-yl)-n-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine GILEAD CONNECTICUT, INC. (US) 2017-10-24 US disclosed
WO-2007021545-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-02-22 WO disclosed
EP-0398179-B1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO (JP) 1996-01-17 EP disclosed
US-5116855-A Aldose reductase inhibitors; antidiabetic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-05-26 US disclosed
EP-0398179-A1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-11-22 EP 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 (8 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-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 NPSR1 2077/4885KMT2A 723/4885SMN1; SMN2 3487/4885
US-20130237520-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 NPSR1 2939/4885KMT2A 1035/4885SMN1; SMN2 2455/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 NPSR1 2077/4885KMT2A 723/4885SMN1; SMN2 3487/4885
US-20180086769-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 NPSR1 2939/4885KMT2A 1035/4885SMN1; SMN2 2455/4885
US-20140336169-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 NPSR1 2939/4885KMT2A 1035/4885SMN1; SMN2 2455/4885
US-20130267496-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 NPSR1 2939/4885KMT2A 1035/4885SMN1; SMN2 2455/4885
US-20100222323-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 NPSR1 2939/4885KMT2A 1035/4885SMN1; SMN2 2455/4885
US-20130237521-A1 IMIDAZOPYRIZINE SYK INHIBITORS SYK, ZAP70, BTK NPSR1 2927/4885KMT2A 1019/4885SMN1; SMN2 3042/4885

“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.