SCHEMBL2914005

SCHEMBL2914005

COc1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.89
MAPT P10636 7/20 0.89
ALDH1A1 P00352 4/20 0.89
KDM4E B2RXH2 4/20 0.89
LMNA P02545 4/20 0.89
GFER P55789 1/20 0.81
NPSR1 Q6W5P4 1/20 0.81
TUBB4A P04350 5/20 0.80
TUBB P07437 5/20 0.80
TUBA3C P0DPH7 5/20 0.80
TUBA1B P68363 5/20 0.80
TUBA4A P68366 5/20 0.80
TUBB4B P68371 5/20 0.80
TUBB3 Q13509 5/20 0.80
TUBB2A Q13885 5/20 0.80
TUBB8 Q3ZCM7 5/20 0.80
TUBA3E Q6PEY2 5/20 0.80
TUBA1A Q71U36 5/20 0.80
TUBA1C Q9BQE3 5/20 0.80
TUBB6 Q9BUF5 5/20 0.80

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
SCHEMBL2925118 0.95 GAA (0.89) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL15452683 0.88 GAA (0.69) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL2923400 0.88 GAA (0.83) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL31355271 0.87 GAA (0.82) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL28713723 0.85 TUBB4A (0.93) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL31355282 0.85 GAA (0.82) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL31355328 0.84 TUBB4A (0.83) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL26908187 0.84 GAA (0.71) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL2924128 0.84 GAA (0.78) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL2913681 0.84 BRAF (1.00) GAAMAPTALDH1A1KDM4ELMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1901748-B1 ANGIOGENESIS INHIBITORS ONCALIS AG (CH) 2010-09-08 EP disclosed
EP-1765351-B9 PROTEIN KINASE INHIBITORS ONCALIS AG (CH) 2010-03-24 EP disclosed
EP-1765351-B1 PROTEIN KINASE INHIBITORS ONCALIS AG (CH) 2009-03-04 EP disclosed
US-20070149535-A1 Protein kinase inhibitors ONCALIS AG (CH) 2007-06-28 US disclosed
US-20070149535-A1 Protein kinase inhibitors ONCALIS AG (CH) 2007-06-28 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-20070149535-A1 Protein kinase inhibitors FLT1, ERBB2, ERBB3 GAA 3677/4885MAPT 3858/4885ALDH1A1 2419/4885

“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.