SCHEMBL22264378

SCHEMBL22264378

COc1c[c]ccc1Nc1nc(NC2(C)CC2)c2c(C(F)(F)F)c[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.35
LRRK2 Q5S007 7/20 0.34
ALK Q9UM73 2/20 0.34
DYRK3 O43781 1/20 0.33
CSNK1E P49674 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PTK2 Q05397 1/20 0.32
TTK P33981 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
SCHEMBL28655702 0.83 CLK1 (0.47) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL28668352 0.82 TTK (0.48) DYRK1ACLK1CLK2PTK2TTK
SCHEMBL21723695 0.80 DYRK1A (0.38) DYRK1ALRRK2ALKDYRK3CSNK1E
SCHEMBL22264434 0.76 DYRK1A (0.61) DYRK1ALRRK2DYRK3CSNK1ECLK1
SCHEMBL22264415 0.75 CLK1 (0.45) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21609948 0.73 DYRK1A (0.52) DYRK1ALRRK2DYRK3CSNK1ECLK1
SCHEMBL22159325 0.73 DYRK1A (0.54) DYRK1ALRRK2DYRK3CSNK1ECLK1
SCHEMBL28593022 0.72 LRRK2 (0.54) LRRK2
SCHEMBL21609958 0.72 DYRK1A (0.61) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21609957 0.71 DYRK1A (0.67) DYRK1ALRRK2DYRK3CSNK1ECLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-07-30 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE LRRK2, WEE1, WEE2 DYRK1A 897/4885LRRK2 1/4885ALK 3238/4885

“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.