SCHEMBL1635157

SCHEMBL1635157

COc1ccc(C)c2c(C)nc(O)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
NQO2 P16083 3/20 0.39
CHRM4 P08173 4/20 0.38
CYP19A1 P11511 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DUSP3 P51452 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.35
TUBB1 Q9H4B7 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
SCHEMBL1635171 0.72 KDM4E (0.54) MAPTLMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL18535210 0.71 MAPT (0.83) MAPTTSHRLMNAHPGDHSD17B10
SCHEMBL6592438 0.69 GPR35 (0.51) MAPTTSHRLMNAHPGDHSD17B10
SCHEMBL6081049 0.69 MAPT (0.42) MAPTTSHRLMNAHPGDHSD17B10
SCHEMBL11713713 0.68 NQO2 (0.60) MAPTTSHRLMNAHPGDHSD17B10
SCHEMBL6080548 0.68 MAPT (0.44) MAPTTSHRLMNAHPGDHSD17B10
SCHEMBL18535211 0.68 MAPT (0.65) MAPTTSHRLMNAHPGDHSD17B10
SCHEMBL21636231 0.68 MAPT (0.48) MAPTALDH1A1NQO2CYP19A1KDM4E
SCHEMBL28113797 0.67 MAPT (0.69) MAPTTSHRLMNAHPGDHSD17B10
SCHEMBL7762455 0.66 MAPT (0.61) MAPTTSHRLMNAHPGDHSD17B10

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
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
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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 (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 MAPT 2848/4885TSHR 3241/4885LMNA 2822/4885

“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.