SCHEMBL1633951

SCHEMBL1633951

COc1c(C)ccc(C=O)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 4/20 0.39
TRIM24 O15164 1/20 0.38
TYR P14679 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
TSHR P16473 2/20 0.38
MCL1 Q07820 1/20 0.38
ERN1 O75460 5/20 0.36
TUBB4A P04350 3/20 0.36
TUBB P07437 3/20 0.36
TUBA3C P0DPH7 3/20 0.36
TUBA1B P68363 3/20 0.36
TUBA4A P68366 3/20 0.36
TUBB4B P68371 3/20 0.36
TUBB3 Q13509 3/20 0.36
TUBB2A Q13885 3/20 0.36
TUBB8 Q3ZCM7 3/20 0.36
TUBA3E Q6PEY2 3/20 0.36
TUBA1A Q71U36 3/20 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
SCHEMBL669820 0.82 CA1 (0.50) CA1CA2ALDH1A1TRIM24TYR
SCHEMBL11396901 0.81 CYP19A1 (0.47) CA1CA2ALDH1A1TSHRERN1
SCHEMBL6204194 0.80 CA1 (0.44) CA1CA2ALDH1A1TRIM24TYR
SCHEMBL13873895 0.79 CA1 (0.58) CA1CA2ALDH1A1TRIM24TYR
SCHEMBL29956767 0.79 CA1 (0.58) CA1CA2ALDH1A1TRIM24TYR
SCHEMBL20136310 0.77 CA1 (0.42) CA1CA2ALDH1A1TRIM24TYR
SCHEMBL10331738 0.77 ERN1 (0.50) CA1CA2ALDH1A1TRIM24TYR
SCHEMBL21614310 0.77 POLB (0.44) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10023121 0.76 CA1 (0.48) CA1CA2ALDH1A1TRIM24TYR
SCHEMBL692622 0.75 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ETDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
CN-101454294-A Quinazolines for pdk1 inhibition NOVARTIS AG (CH) 2009-06-10 CN 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 CA1 4702/4885CA2 3577/4885ALDH1A1 2679/4885

“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.