SCHEMBL13777939

SCHEMBL13777939

Cc1ccccc1Nc1cc(Nc2cccc(NC(=O)C3CC3)c2)ncn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.68
TUBB P07437 1/20 0.68
TUBA3C P0DPH7 1/20 0.68
TUBA1B P68363 1/20 0.68
TUBA4A P68366 1/20 0.68
TUBB4B P68371 1/20 0.68
TUBB3 Q13509 1/20 0.68
TUBB2A Q13885 1/20 0.68
TUBB8 Q3ZCM7 1/20 0.68
TUBA3E Q6PEY2 1/20 0.68
TUBA1A Q71U36 1/20 0.68
TUBA1C Q9BQE3 1/20 0.68
TUBB6 Q9BUF5 1/20 0.68
TUBB2B Q9BVA1 1/20 0.68
TUBB1 Q9H4B7 1/20 0.68
EGFR P00533 2/20 0.65
ERBB4 Q15303 1/20 0.65
TNNI3K Q59H18 1/20 0.55
S1PR1 P21453 1/20 0.50
BRAF P15056 2/20 0.49

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
SCHEMBL13777938 0.88 EGFR (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15625131 0.86 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25252496 0.81 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL242230 0.79 EGFR (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4239735 0.77 TNNI3K (0.62) EGFRTNNI3KS1PR1MAPK10DDX3X
SCHEMBL4239727 0.77 TNNI3K (0.60) TNNI3KS1PR1LCKSYKBMX
SCHEMBL25241819 0.77 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31247643 0.76 TYK2 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25293509 0.73 TYK2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18102123 0.72 TYK2 (0.74) JAK2

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-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 US disclosed
US-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC 2009-07-16 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-20090181991-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ERBB2, BMX, ERBB3 TUBB4A 1929/4885TUBB 1113/4885TUBA3C 1637/4885

“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.