SCHEMBL6697312

SCHEMBL6697312

COc1cc(N(C(=O)c2cn(C(C)(C)C)nc2-c2cc(F)ccc2Cl)c2cccc(NC(C)=O)c2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.38
BRAF P15056 4/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBB6 Q9BUF5 2/20 0.36
TUBB2B Q9BVA1 2/20 0.36
TUBB1 Q9H4B7 2/20 0.36
MAPK1 P28482 1/20 0.35
PTGER3 P43115 2/20 0.35
PDE7A Q13946 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
SCHEMBL5771897 0.89 PDE7A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6691783 0.78 PTGS2 (0.39) FYNBRAFALDH1A1SMN1; SMN2MAPT
SCHEMBL7499774 0.76 PTGS2 (0.37) PDE7AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5771902 0.76 SMN1; SMN2 (0.48) PDE7ASMN1; SMN2MAPTLMNA
SCHEMBL5778310 0.71 POLB (0.51) BRAFALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6692596 0.71 BRAF (0.40) FYNBRAFMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5774424 0.71 POLB (0.46) FYNBRAFALDH1A1SMN1; SMN2MAPT
SCHEMBL5770736 0.70 PTGS2 (0.44) ALDH1A1SMN1; SMN2MAPTSMONPC1
SCHEMBL6692603 0.68 BRAF (0.38) FYNBRAFALDH1A1MAPTGAA
SCHEMBL5774429 0.68 POLB (0.46) FYNBRAFALDH1A1SMN1; SMN2MAPT

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-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 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-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 FYN 4849/4885BRAF 1466/4885TUBB4A 848/4885

“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.