SCHEMBL13336128

SCHEMBL13336128

Cn1cc(-c2cc(CN3CCCCC3)cc(Nc3ncc4cc(Br)cc(F)c4n3)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.43
▸ DYRK1A Q13627 6/20 0.43
▸ WNT1 P04628 4/20 0.39
▸ CDK2 P24941 4/20 0.37
▸ CCNB2 O95067 3/20 0.37
▸ CDK1 P06493 3/20 0.37
▸ CCNB1 P14635 3/20 0.37
▸ CDK5 Q00535 3/20 0.37
▸ CDK5R1 Q15078 3/20 0.37
▸ CCNB3 Q8WWL7 3/20 0.37
▸ CCNE2 O96020 3/20 0.37
▸ CCNE1 P24864 3/20 0.37
▸ CCNT1 O60563 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MAP4K1 Q92918 2/20 0.37
▸ MAP4K3 Q8IVH8 1/20 0.37
▸ TTK P33981 2/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL13574022 0.90 GSK3B (0.44) GSK3BDYRK1AWNT1CDK2CCNB2
SCHEMBL13336131 0.90 TYRO3 (0.41) GSK3BDYRK1AWNT1CDK2CCNB2
SCHEMBL13574026 0.90 GSK3B (0.43) GSK3BDYRK1AWNT1CDK2CCNB2
SCHEMBL13336219 0.87 GSK3B (0.42) GSK3BDYRK1AWNT1CDK2CCNB2
SCHEMBL13336028 0.86 MAP4K1 (0.43) GSK3BDYRK1AWNT1TYRO3MAP4K1
SCHEMBL13336279 0.83 AXL (0.41) GSK3BDYRK1ACDK2CCNB2CDK1
SCHEMBL13336230 0.83 AXL (0.42) GSK3BDYRK1AWNT1CDK2CCNB2
SCHEMBL13574038 0.81 TYRO3 (0.41) GSK3BDYRK1AWNT1CDK2CCNB2
SCHEMBL13336248 0.79 SYK (0.44) GSK3BDYRK1AWNT1CDK1TTK
SCHEMBL13336218 0.79 TYRO3 (0.39) GSK3BDYRK1AWNT1CDK2CCNB2

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 GSK3B 340/4885DYRK1A 1286/4885WNT1 759/4885

“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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