SCHEMBL21880693

SCHEMBL21880693

NC1CCC(Nc2nc(Nc3ccc(CN4CCOCC4)cc3)c3ncn(C4CCCC4)c3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 16/20 1.00
PDGFRA P16234 8/20 1.00
CDK2 P24941 2/20 0.71
CCNE1 P24864 1/20 0.71
SRC P12931 1/20 0.69

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
SCHEMBL24336620 1.00 FLT3 (1.00) FLT3PDGFRACDK2CCNE1SRC
SCHEMBL24094072 0.93 PDGFRA (0.86) FLT3PDGFRACDK2CCNE1SRC
SCHEMBL5193682 0.88 FLT3 (1.00) FLT3PDGFRACDK2CCNE1SRC
SCHEMBL5193689 0.88 FLT3 (1.00) FLT3PDGFRACDK2CCNE1SRC
Hydrochloric Acid SCHEMBL5195535 0.87 FLT3 (0.98) FLT3PDGFRACDK2CCNE1SRC
Hydrochloric Acid SCHEMBL5195542 0.87 FLT3 (0.98) FLT3PDGFRACDK2CCNE1SRC
SCHEMBL23468404 0.85 PDGFRA (0.79) FLT3PDGFRACDK2CCNE1
SCHEMBL23468402 0.85 PDGFRA (0.73) FLT3PDGFRACDK2CCNE1SRC
SCHEMBL21880403 0.84 FLT3 (0.78) FLT3PDGFRA
SCHEMBL5193120 0.84 FLT3 (0.85) FLT3PDGFRACDK2CCNE1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022062357-A1 MEDICINE FOR TREATING OR PREVENTING DISEASES RELATED TO ACTIVITY OF LRRK2 KINASE OR ABNORMAL LRRK2 MUTANT KINASE 广州智睿医药科技有限公司 2022-03-31 WO disclosed
US-11028087-B2 2,6-disubstituted-9-cyclopentyl-9H-purines, use thereof as medicaments, and pharmaceutical compositions UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2021-06-08 US disclosed
CN-112043710-A Medicine for treating or preventing diseases related to LRRK2 kinase or abnormal LRRK2 mutant kinase activity 广州智睿医药科技有限公司 2020-12-08 CN disclosed
US-20200087306-A1 2,6-DISUBSTITUTED-9-CYCLOPENTYL-9H-PURINES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-03-19 US 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 (2 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-20200087306-A1 2,6-DISUBSTITUTED-9-CYCLOPENTYL-9H-PURINES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS FLT3, CDK9, CDK6 FLT3 1/4885PDGFRA 9/4885CDK2 4/4885
US-11028087-B2 2,6-disubstituted-9-cyclopentyl-9H-purines, use thereof as medicaments, and pharmaceutical compositions FLT3, CDK9, CDK6 FLT3 1/4885PDGFRA 9/4885CDK2 4/4885

“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.