SCHEMBL78827

SCHEMBL78827

CNc1ccc(NC(=O)N(c2ccccc2)c2ncc3c[nH]nc3n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 2/20 0.33
HCAR3 P49019 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
LIPE Q05469 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL83895 0.86 MEN1 (0.42) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL78828 0.85 KMT2A (0.38) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL82344 0.83 HDAC1 (0.35) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL77812 0.83 NOTUM (0.44) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL79491 0.83 MEN1 (0.42) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL83204 0.82 CXCR1 (0.38) KMT2AMEN1NPC1HDAC1HDAC6
SCHEMBL82336 0.81 L3MBTL1 (0.47) RAB9AKDM4ESMN1; SMN2MAPTTP53
SCHEMBL5014878 0.80 HDAC6 (0.34) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL79582 0.79 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5015654 0.79 MEN1 (0.34) KMT2AMEN1RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD KMT2A 3336/4885MEN1 2562/4885RAB9A 1390/4885

“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.