Sugi Predict

Sugi Predict / Compounds / SCHEMBL22259384

SCHEMBL22259384

SCHEMBL22259384

CC(C)(C)c1ccn(CC(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ CCR1 P32246 1/20 0.31
▸ LRRK2 Q5S007 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
SCHEMBL20462621 0.83 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL20464261 0.80 KDM4E (0.36) SLC6A2SLC6A4SLC6A3CCR1
SCHEMBL24884325 0.80 KDM4E (0.36) SLC6A2SLC6A4SLC6A3CCR1
SCHEMBL24884203 0.80 KDM4E (0.36) SLC6A2SLC6A4SLC6A3CCR1
SCHEMBL3980290 0.77 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL24335538 0.77 USP2 (0.38) LRRK2
SCHEMBL10222903 0.76 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL17032870 0.76 AR (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL13750404 0.76 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL20306324 0.75 KCNH2 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 — — US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 — — US disclosed
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2023-03-02 — — US disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 — — US disclosed
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2023-01-12 — — US disclosed
US-11466013-B2 ERK inhibitor and use thereof BETTA PHARMACEUTICALS CO., LTD (CN) 2022-10-11 — — US disclosed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 — — US disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 — — 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-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 SLC6A2 963/4885SLC6A4 1298/4885SLC6A3 784/4885
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B SLC6A2 891/4885SLC6A4 2525/4885SLC6A3 562/4885
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP4K2, MAP4K4 SLC6A2 1720/4885SLC6A4 538/4885SLC6A3 1414/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B SLC6A2 891/4885SLC6A4 2525/4885SLC6A3 562/4885
US-11466013-B2 ERK inhibitor and use thereof MAPK1, MAPK4, MAPK7 SLC6A2 4450/4885SLC6A4 4514/4885SLC6A3 4480/4885
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 SLC6A2 4408/4885SLC6A4 3319/4885SLC6A3 4355/4885

“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.