Sugi Predict

Sugi Predict / Compounds / SCHEMBL5021099

SCHEMBL5021099

SCHEMBL5021099

Cc1c(N)cnn1CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ CSNK1E P49674 1/20 0.30
▸ CLK1 P49759 1/20 0.30
▸ CLK2 P49760 1/20 0.30
▸ CLK3 P49761 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ DYRK2 Q92630 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL6154188 0.82 CYP1A2 (0.33) CYP1A2TSHR
SCHEMBL14996663 0.80 CYP17A1 (0.42) CYP17A1CYP1A2ALDH1A1LMNAHTT
SCHEMBL5021083 0.79 LRRK2 (0.40) HTTTSHRLRRK2
SCHEMBL22876819 0.78 TSHR (0.30) HTTTSHR
SCHEMBL31319594 0.77 CYP17A1 (0.32) CYP17A1CYP1A2ALDH1A1LMNAHTT
SCHEMBL26388379 0.77 CYP17A1 (0.38) CYP17A1CYP1A2ALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL2009105 0.77 CYP17A1 (0.35) CYP17A1CYP1A2ALDH1A1LMNAHTT
SCHEMBL5020884 0.77 TSHR (0.33) TSHR
SCHEMBL12859181 0.76 CYP1A2 (0.37) CYP17A1CYP1A2ALDH1A1LMNAHTT
SCHEMBL12871754 0.76 CYP1A2 (0.37) CYP17A1CYP1A2ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 — — EP disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 — — US disclosed
US-20230391725-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2023-12-07 — — US disclosed
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-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
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
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 — — US 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
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 (7 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-20230391725-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY AVPR1B, CRH, CRHR1 CYP17A1 884/4885CYP1A2 336/4885ALDH1A1 3464/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP17A1 2272/4885CYP1A2 3832/4885ALDH1A1 4333/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP17A1 3060/4885CYP1A2 3276/4885ALDH1A1 3674/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP17A1 2272/4885CYP1A2 3832/4885ALDH1A1 4333/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 CYP17A1 4381/4885CYP1A2 2440/4885ALDH1A1 1591/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 CYP17A1 4805/4885CYP1A2 3177/4885ALDH1A1 2558/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP17A1 2385/4885CYP1A2 3709/4885ALDH1A1 4184/4885

“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.