SCHEMBL1569968

SCHEMBL1569968

CC(=O)Nc1c[c]cc(C(C)(C)N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ MB P02144 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CA3 P07451 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
SCHEMBL2894937 0.85 KIF11 (0.46) LMNASMN1; SMN2L3MBTL1KIF11MAPT
SCHEMBL1570132 0.80 LMNA (0.52) ALDH1A1TDP1GAALMNASMN1; SMN2
SCHEMBL25360083 0.73 LMNA (0.45) ALDH1A1TDP1LMNASMN1; SMN2HSD17B10
SCHEMBL10882572 0.73 LMNA (0.61) ALDH1A1TDP1GAALMNASMN1; SMN2
SCHEMBL9022659 0.73 SMN1; SMN2 (0.58) ALDH1A1TDP1SMN1; SMN2HSD17B10L3MBTL1
SCHEMBL2902567 0.72 L3MBTL1 (0.47) ALDH1A1GAALMNAL3MBTL1HTT
SCHEMBL1569990 0.72 LMNA (0.44) ALDH1A1TDP1GAALMNASMN1; SMN2
SCHEMBL18109247 0.72 MEN1 (0.44) ALDH1A1TDP1GAALMNASMN1; SMN2
SCHEMBL1570394 0.71 LMNA (0.40) ALDH1A1TDP1LMNASMN1; SMN2HSD17B10
SCHEMBL23328069 0.69 MAPT (0.59) ALDH1A1TDP1GAALMNAKIF11

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
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 — — EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 ALDH1A1 2630/4885TDP1 1076/4885GAA 1908/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 ALDH1A1 2281/4885TDP1 1108/4885GAA 1566/4885

“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.

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