SCHEMBL22658959

SCHEMBL22658959

C[C@H]1CC(c2c(Br)c3c(N)ncnc3n2C)CN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ SRC P12931 4/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ADK P55263 2/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ AHCY P23526 1/20 0.32

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
SCHEMBL22676957 0.86 SRC (0.44) LRRK2SRC
SCHEMBL29452532 0.86 SRC (0.44) LRRK2SRC
SCHEMBL28700136 0.80 LRRK2 (0.43) LRRK2DYRK1ASRCJAK2JAK1
SCHEMBL22659126 0.74 DYRK1A (0.39) LRRK2DYRK1AADORA2AADORA2BADORA1
SCHEMBL22659128 0.74 DYRK1A (0.39) LRRK2DYRK1AADORA2AADORA2BADORA1
SCHEMBL29407786 0.74 DYRK1A (0.39) LRRK2DYRK1AADORA2AADORA2BADORA1
SCHEMBL22659032 0.73 BTK (0.45) —
SCHEMBL29407628 0.72 SRC (0.52) LRRK2SRC
SCHEMBL22658709 0.72 SRC (0.52) LRRK2SRC
SCHEMBL31399003 0.66 SRC (0.41) SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306529-A2 FGFR INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-01-17 — — EP disclosed
EP-3968999-B1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2023-12-27 — — EP disclosed
US-11780845-B2 FGFR inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-20230192709-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-06-22 — — US disclosed
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF D.E. SHAW RESEARCH, LLC 2023-04-06 — — US disclosed
WO-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 — — 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 (3 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-20230192709-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 LRRK2 186/4885DYRK1A 1414/4885SRC 18/4885
US-20230104574-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 LRRK2 186/4885DYRK1A 1414/4885SRC 18/4885
US-11780845-B2 FGFR inhibitors and methods of use thereof FGFR3, FGFR2, FGFR1 LRRK2 186/4885DYRK1A 1414/4885SRC 18/4885

“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.

Send feedback