SCHEMBL13336034

SCHEMBL13336034

C#Cc1ccc2nc(Nc3cc(CN4CCCC4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.42
▸ MAP4K3 Q8IVH8 1/20 0.42
▸ BRAF P15056 2/20 0.42
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ ERBB4 Q15303 1/20 0.40
▸ GSK3B P49841 5/20 0.39
▸ DYRK1A Q13627 5/20 0.39
▸ WNT1 P04628 3/20 0.39
▸ JUN P05412 2/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ TBK1 Q9UHD2 2/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1G2 P78368 1/20 0.37
▸ CDK1 P06493 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CCNK O75909 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
SCHEMBL13336031 0.99 MAP4K1 (0.42) MAP4K1MAP4K3BRAFEGFRERBB2
SCHEMBL13335984 0.94 MAP4K1 (0.45) MAP4K1MAP4K3EGFRERBB2ERBB4
SCHEMBL1570539 0.93 SYK (0.45) MAP4K1MAP4K3EGFRERBB2ERBB4
SCHEMBL13336207 0.91 MAP4K1 (0.41) MAP4K1MAP4K3EGFRERBB2ERBB4
SCHEMBL13336165 0.91 GRM2 (0.41) MAP4K1MAP4K3BRAFEGFRERBB2
SCHEMBL13336147 0.90 GRM2 (0.44) MAP4K1MAP4K3BRAFEGFRERBB2
SCHEMBL13336151 0.90 GRM2 (0.43) MAP4K1MAP4K3BRAFEGFRERBB2
SCHEMBL13336322 0.89 GRM2 (0.42) MAP4K1MAP4K3EGFRERBB2ERBB4
SCHEMBL13336186 0.89 MAP4K1 (0.42) MAP4K1MAP4K3EGFRERBB2ERBB4
SCHEMBL13225920 0.88 MAP4K1 (0.43) MAP4K1MAP4K3BRAFEGFRERBB2

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 MAP4K1 112/4885MAP4K3 103/4885BRAF 208/4885

“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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