SCHEMBL13336164

SCHEMBL13336164

Cn1cc(-c2cc(CN3CCC(F)(F)CC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.42
▸ MAP4K1 Q92918 5/20 0.41
▸ MAP4K3 Q8IVH8 1/20 0.41
▸ SYK P43405 2/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ GSK3B P49841 5/20 0.38
▸ DYRK1A Q13627 5/20 0.38
▸ TTK P33981 2/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ JUN P05412 2/20 0.37
▸ MAPK8 P45983 2/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ WNT1 P04628 3/20 0.35
▸ MET P08581 1/20 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
SCHEMBL13336155 0.95 CCNC (0.43) GRM2MAP4K1MAP4K3SYKFGFR1
SCHEMBL13574019 0.91 GRM2 (0.42) GRM2MAP4K1MAP4K3SYKFGFR1
SCHEMBL13336028 0.90 MAP4K1 (0.43) MAP4K1MAP4K3SYKGSK3BDYRK1A
SCHEMBL13336165 0.88 GRM2 (0.41) GRM2MAP4K1MAP4K3SYKFGFR1
SCHEMBL13336192 0.87 MAP4K1 (0.43) MAP4K1MAP4K3SYKFGFR1FGFR2
SCHEMBL13336323 0.86 GRM2 (0.44) GRM2MAP4K1MAP4K3SYKFGFR1
SCHEMBL13336180 0.86 MAP4K1 (0.44) GRM2MAP4K1MAP4K3FGFR1FGFR2
SCHEMBL13336330 0.85 MAP4K1 (0.44) MAP4K1MAP4K3SYKFGFR1FGFR2
SCHEMBL13362991 0.84 MAP4K1 (0.45) MAP4K1MAP4K3TTKJUNMAPK8
SCHEMBL1570584 0.84 MAP4K1 (0.44) GRM2MAP4K1MAP4K3SYKFGFR1

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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