SCHEMBL29437819

SCHEMBL29437819

Cn1c(=O)[nH]c2ccc(-c3cnc(NCc4ccc(F)cc4)nc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.49
▸ CDK2 P24941 1/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ PGR P06401 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GRIN1 Q05586 6/20 0.44
▸ GRIN2B Q13224 6/20 0.44
▸ ADORA2A P29274 1/20 0.42

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
SCHEMBL22191187 1.00 DYRK1A (0.49) DYRK1ACDK2AKT1PGRKDM4E
SCHEMBL22191346 0.92 DYRK1A (0.48) DYRK1AKDM4EALDH1A1GAACYP1A2
SCHEMBL22191015 0.89 PGR (0.50) DYRK1ACDK2AKT1PGRKDM4E
SCHEMBL22190998 0.83 GAA (0.47) DYRK1AKDM4EALDH1A1GAACYP1A2
SCHEMBL22191163 0.81 DYRK1A (0.47) DYRK1APGRKDM4EALDH1A1GAA
SCHEMBL21156825 0.78 DYRK1A (0.61) DYRK1ACDK2AKT1PGRKDM4E
SCHEMBL30593441 0.78 DYRK1A (0.61) DYRK1ACDK2AKT1PGRKDM4E
SCHEMBL22191084 0.77 PGR (0.55) PGRCYP1A2CYP2D6MEN1KMT2A
SCHEMBL22190880 0.75 PGR (0.56) PGRMAOB
SCHEMBL22191186 0.75 PGR (0.48) DYRK1ACDK2PGRMEN1KMT2A

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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 — — 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 (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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 DYRK1A 479/4885CDK2 89/4885AKT1 54/4885

“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.

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