SCHEMBL1570516

SCHEMBL1570516

CCOc1c[c]cc(C(=O)NC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 4/20 0.60
▸ LMNA P02545 2/20 0.44
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ CREBBP Q92793 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CASP3 P42574 1/20 0.39

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
SCHEMBL16491018 0.82 PLK1 (0.68) PLK1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL17046253 0.81 MAPT (0.43) PLK1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4316367 0.81 PLA2G4B (0.49) SMN1; SMN2NPC1RAB9AHTTTSHR
SCHEMBL8592609 0.80 HDAC8 (0.50) PLK1SMN1; SMN2HTTHPGDTSHR
SCHEMBL16958804 0.79 PARP10 (0.58) PLK1LMNAMAPK8NPC1HTT
SCHEMBL31634959 0.77 PLK1 (0.60) PLK1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL29318285 0.77 PLK1 (0.60) PLK1LMNASMN1; SMN2TSHRKMT2A
SCHEMBL14969346 0.77 SMN1; SMN2 (0.65) PLK1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL22945926 0.77 PLK1 (0.60) PLK1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL2528973 0.75 PLK1 (1.00) PLK1LMNASMN1; SMN2NPC1RAB9A

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 7 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
EP-2125755-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis Ag (CH) 2009-12-02 — — EP disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 — — 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 PLK1 16/4885LMNA 2948/4885MAPK8 275/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 PLK1 9/4885LMNA 2647/4885MAPK8 284/4885

“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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