SCHEMBL13362641

SCHEMBL13362641

Bc1ccc2nc(Nc3cc(CN4CCC(C(F)(F)F)CC4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.44
▸ WNT1 P04628 7/20 0.43
▸ GSK3B P49841 7/20 0.43
▸ DYRK1A Q13627 7/20 0.43
▸ MAP4K1 Q92918 5/20 0.43
▸ MAP4K3 Q8IVH8 1/20 0.43
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ DDR2 Q16832 3/20 0.36
▸ TTK P33981 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
SCHEMBL13336323 0.91 GRM2 (0.44) GRM2WNT1GSK3BDYRK1AMAP4K1
SCHEMBL13362817 0.89 MAP4K1 (0.44) GRM2WNT1GSK3BDYRK1AMAP4K1
SCHEMBL13336322 0.88 GRM2 (0.42) GRM2WNT1GSK3BDYRK1AMAP4K1
SCHEMBL13362896 0.88 MAP4K1 (0.43) WNT1GSK3BDYRK1AMAP4K1MAP4K3
SCHEMBL13362797 0.81 TTK (0.44) GRM2WNT1GSK3BDYRK1AMAP4K1
SCHEMBL13251910 0.80 MAP4K1 (0.43) DYRK1AMAP4K1MAP4K3DDR2TTK
SCHEMBL13336180 0.79 MAP4K1 (0.44) GRM2WNT1GSK3BDYRK1AMAP4K1
SCHEMBL13573976 0.79 MAP4K1 (0.44) WNT1GSK3BDYRK1AMAP4K1MAP4K3
SCHEMBL13573972 0.78 MAP4K1 (0.44) WNT1GSK3BDYRK1AMAP4K1MAP4K3
SCHEMBL13336028 0.77 MAP4K1 (0.43) WNT1GSK3BDYRK1AMAP4K1MAP4K3

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 GRM2 2795/4885WNT1 759/4885GSK3B 340/4885

“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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