SCHEMBL13336099

SCHEMBL13336099

CN1CCN(C(=O)c2cc(Nc3ncc4cc(Br)ccc4n3)cc(-c3cnn(C)c3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 5/20 0.47
▸ CLK2 P49760 3/20 0.47
▸ CLK3 P49761 3/20 0.47
▸ MAP4K3 Q8IVH8 1/20 0.47
▸ MAP4K1 Q92918 1/20 0.47
▸ CDK1 P06493 3/20 0.45
▸ AURKA O14965 2/20 0.45
▸ AURKB Q96GD4 2/20 0.45
▸ WNT1 P04628 3/20 0.43
▸ GSK3B P49841 3/20 0.43
▸ CCNT1 O60563 2/20 0.43
▸ CCNE1 P24864 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ IGF1R P08069 3/20 0.43
▸ CDK6 Q00534 3/20 0.41
▸ PDGFRB P09619 2/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ KIT P10721 1/20 0.40

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
SCHEMBL13362640 0.90 DYRK1A (0.48) DYRK1ACLK2CLK3MAP4K3MAP4K1
SCHEMBL13336098 0.88 DYRK1A (0.44) DYRK1ACLK2CLK3MAP4K3MAP4K1
SCHEMBL13251937 0.87 ALK (0.49) DYRK1ACLK2CLK3MAP4K3MAP4K1
SCHEMBL13336313 0.83 JAK1 (0.49) DYRK1ACLK2CLK3CDK1AURKA
SCHEMBL12671430 0.82 MAP4K1 (0.46) DYRK1ACLK2CLK3MAP4K3MAP4K1
SCHEMBL13363122 0.82 BRAF (0.43) DYRK1ACLK2CLK3
SCHEMBL13225919 0.80 MAP4K1 (0.42) DYRK1AMAP4K3MAP4K1AURKBWNT1
SCHEMBL1571320 0.80 MAP4K1 (0.44) MAP4K3MAP4K1CDK2IGF1RCCNA2
SCHEMBL13225918 0.80 MET (0.46) DYRK1ACLK2CLK3MAP4K3MAP4K1
SCHEMBL13362991 0.79 MAP4K1 (0.45) MAP4K3MAP4K1CDK2IGF1RCCNA2

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-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 DYRK1A 1286/4885CLK2 548/4885CLK3 1118/4885

“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.

Send feedback