SCHEMBL6398804

SCHEMBL6398804

CCc1ccc(Nc2c(-c3nnc(NC(CN(C)C)c4ccccc4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.37
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
DBF4 Q9UBU7 3/20 0.37
SCN1A P35498 3/20 0.32
SCN5A Q14524 3/20 0.32
SCN8A Q9UQD0 3/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 0.32
TUBB6 Q9BUF5 2/20 0.32

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
SCHEMBL6206526 0.86 MAP3K8 (0.39) CDC7CCNE1CDK2DBF4SCN1A
SCHEMBL6405809 0.84 KAT2B (0.30) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6399685 0.83 ELANE (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6397573 0.81 RXFP1 (0.33)
SCHEMBL6227680 0.76 CHRNA7 (0.33) CDC7CCNE1CDK2DBF4TUBB4A
SCHEMBL6398977 0.76 KDR (0.34) CDC7CCNE1CDK2DBF4TUBB4A
SCHEMBL6205699 0.76 MAP2K1 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6207753 0.76 MAP2K2 (0.34)
SCHEMBL6185712 0.76 MAP2K2 (0.31)
SCHEMBL6207255 0.75 CHRNA7 (0.33)

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-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US claimed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 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-20050004186-A1 MEK inhibiting compounds MAPK1, MAP3K1, MAPK3 CDC7 395/4885CCNE1 983/4885CDK2 110/4885

“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.