SCHEMBL4925138

SCHEMBL4925138

CCc1nc(N)ncc1-c1c[nH]c2cnccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 12/20 0.59
▸ NFATC1 O95644 6/20 0.59
▸ GSK3B P49841 5/20 0.59
▸ CDK2 P24941 4/20 0.49
▸ DYRK1B Q9Y463 4/20 0.49
▸ PDPK1 O15530 1/20 0.49
▸ TGFBR1 P36897 1/20 0.49
▸ IKBKE Q14164 1/20 0.49
▸ IGF1R P08069 2/20 0.47
▸ PIM1 P11309 1/20 0.42
▸ HASPIN Q8TF76 1/20 0.42
▸ CLK1 P49759 2/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ MAP3K14 Q99558 1/20 0.39

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
SCHEMBL4925137 0.81 DYRK1A (0.57) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL3658484 0.74 DYRK1A (1.00) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL26725844 0.69 DYRK1A (0.59) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL3658049 0.68 PDPK1 (0.65) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL3221770 0.68 DYRK1A (0.51) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL12501045 0.66 TGFBR1 (1.00) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL25421202 0.66 DYRK1A (1.00) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL30461701 0.66 DYRK1A (1.00) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL13051140 0.66 DYRK1A (0.57) DYRK1ANFATC1GSK3BCDK2DYRK1B
SCHEMBL31472564 0.66 DYRK1A (1.00) DYRK1ANFATC1GSK3BCDK2DYRK1B

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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 — — 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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 DYRK1A 1171/4885NFATC1 460/4885GSK3B 130/4885

“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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