Sugi Predict

Sugi Predict / Compounds / SCHEMBL9930243

SCHEMBL9930243

SCHEMBL9930243

Cc1c(N)cnn1-c1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.51
▸ MAPK14 Q16539 2/20 0.45
▸ CYP11B2 P19099 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PFKFB3 Q16875 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ AR P10275 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL9969915 0.80 XDH (0.50) XDHKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9930268 0.77 MEN1 (0.50) MAPK14KMT2AKDM4EMEN1PGR
SCHEMBL5021185 0.77 NPC1 (0.45) KMT2AMEN1ALDH1A1POLBPTGS2
SCHEMBL33199 0.77 MAPK1 (0.54) KMT2AKDM4EMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL16245892 0.76 NPC1 (0.44) KMT2AMEN1ALDH1A1POLBPTGS2
SCHEMBL25246125 0.75 CYP1A2 (0.38) XDHKMT2AMEN1ALDH1A1POLB
SCHEMBL20646791 0.75 MAPK1 (0.66) MAPK14PFKFB3PTGS2
SCHEMBL20712771 0.75 NPBWR1 (0.46) KMT2AMEN1ALDH1A1POLB
SCHEMBL3876365 0.75 KMT2A (0.73) XDHMAPK14KMT2AKDM4EMEN1
SCHEMBL24468038 0.74 ALDH1A1 (0.53) XDHMAPK14KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 — — EP disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 — — EP disclosed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 — — EP disclosed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 — — EP disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 — — EP disclosed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 — — EP disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 — — EP disclosed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 — — EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 — — US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 — — US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 — — US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 — — US disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 — — 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 (6 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK XDH 3424/4885MAPK14 370/4885CYP11B2 1883/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK XDH 2008/4885MAPK14 447/4885CYP11B2 1788/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK XDH 3424/4885MAPK14 370/4885CYP11B2 1883/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK XDH 3317/4885MAPK14 342/4885CYP11B2 2006/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 XDH 161/4885MAPK14 1194/4885CYP11B2 2842/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK XDH 3317/4885MAPK14 342/4885CYP11B2 2006/4885

“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.