SCHEMBL1571397

SCHEMBL1571397

CSc1ncc2c(Cl)c(O)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
AHR P35869 1/20 0.35
NTRK1 P04629 1/20 0.35
RPS6KA5 O75582 1/20 0.35
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1570594 0.78 ESR1 (0.47) ESR1ESR2KDM4ESMN1; SMN2MAPT
SCHEMBL1571643 0.74 MEN1 (0.35) MEN1KMT2AKDM4ESMN1; SMN2TDP1
SCHEMBL24804424 0.73 KDM4E (0.50) MEN1KMT2AKDM4ESMN1; SMN2TDP1
SCHEMBL15564864 0.73 MEN1 (0.42) MEN1KMT2AKDM4ESMN1; SMN2TDP1
SCHEMBL1865038 0.71 MEN1 (0.41) MEN1KMT2AKDM4ESMN1; SMN2TDP1
SCHEMBL1571326 0.70 MEN1 (0.35) MEN1KMT2AESR2KDM4ESMN1; SMN2
SCHEMBL19725082 0.70 MEN1 (0.49) MEN1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL24558656 0.69 MEN1 (0.45) MEN1KMT2AKDM4ESMN1; SMN2TDP1
SCHEMBL15565637 0.68 CYP2A6 (0.40) MEN1KMT2AKDM4ESMN1; SMN2TDP1
SCHEMBL3046801 0.68 MAPT (0.40) MEN1KMT2AESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102123991-A 2-arylaminoquinazolines for the treatment of proliferative diseases NOVARTIS AG 2011-07-13 CN disclosed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US 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
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 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
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 MEN1 1865/4885KMT2A 998/4885ESR1 2132/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MEN1 1354/4885KMT2A 1065/4885ESR1 1484/4885

“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.