SCHEMBL1570178

SCHEMBL1570178

NC(=O)c1c[c]cc(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.42
TSHR P16473 5/20 0.42
CYP3A4 P08684 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
DHODH Q02127 2/20 0.38
PARP10 Q53GL7 2/20 0.37
PARP4 Q9UKK3 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37

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
SCHEMBL21268373 0.91 DHODH (0.46) PARP1TSHRCYP3A4POLBMAPT
SCHEMBL16956503 0.85 PARP1 (0.52) PARP1TSHRCYP3A4POLBMAPT
SCHEMBL16955381 0.85 PARP1 (0.48) PARP1TSHRCYP3A4POLBMAPT
SCHEMBL5848244 0.85 PARP10 (0.36) PARP1TSHRCYP3A4POLBMAPT
SCHEMBL1569942 0.84 PARP1 (0.50) PARP1TSHRCYP3A4POLBMAPT
SCHEMBL16953882 0.84 PARP1 (0.34) PARP1TSHRCYP3A4POLBMAPT
SCHEMBL16957936 0.84 PARP1 (0.50) PARP1TSHRCYP3A4POLBMAPT
SCHEMBL10389713 0.84 PARP1 (0.50) PARP1TSHRCYP3A4POLBMAPT
SCHEMBL4317908 0.83 ALDH1A1 (0.37) PARP1TSHRCYP3A4POLBMAPT
SCHEMBL21268288 0.83 CA1 (0.44) PARP1TSHRPOLBMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP 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 PARP1 537/4885TSHR 3154/4885CYP3A4 4369/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 PARP1 367/4885TSHR 3210/4885CYP3A4 4774/4885

“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.