SCHEMBL13336151

SCHEMBL13336151

C#Cc1ccc2nc(Nc3cc(CN4CCCC(F)C4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.43
▸ MAP4K1 Q92918 4/20 0.41
▸ MAP4K3 Q8IVH8 1/20 0.41
▸ GSK3B P49841 5/20 0.38
▸ DYRK1A Q13627 5/20 0.38
▸ WNT1 P04628 4/20 0.38
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ ERBB4 Q15303 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ TYRO3 Q06418 2/20 0.35
▸ ROCK2 O75116 3/20 0.35

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
SCHEMBL13336186 0.96 MAP4K1 (0.42) GRM2MAP4K1MAP4K3GSK3BDYRK1A
SCHEMBL13336147 0.91 GRM2 (0.44) GRM2MAP4K1MAP4K3GSK3BDYRK1A
SCHEMBL13336034 0.90 MAP4K1 (0.42) MAP4K1MAP4K3GSK3BDYRK1AWNT1
SCHEMBL13336031 0.89 MAP4K1 (0.42) MAP4K1MAP4K3GSK3BDYRK1AWNT1
SCHEMBL13335984 0.86 MAP4K1 (0.45) MAP4K1MAP4K3GSK3BDYRK1AWNT1
SCHEMBL13336322 0.86 GRM2 (0.42) GRM2MAP4K1MAP4K3GSK3BDYRK1A
SCHEMBL13336181 0.85 GRM2 (0.43) GRM2MAP4K1MAP4K3GSK3BDYRK1A
SCHEMBL1571563 0.85 WNT1 (0.40) GRM2MAP4K1MAP4K3GSK3BDYRK1A
SCHEMBL13336165 0.85 GRM2 (0.41) GRM2MAP4K1MAP4K3GSK3BDYRK1A
SCHEMBL13336180 0.84 MAP4K1 (0.44) GRM2MAP4K1MAP4K3GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — 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-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 GRM2 2795/4885MAP4K1 112/4885MAP4K3 103/4885

“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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