SCHEMBL78828

SCHEMBL78828

CNc1ccc(NC(=O)N(c2ccccc2)c2ncc3cn[nH]c3n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37
FLT3 P36888 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HCAR3 P49019 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CSF1R P07333 1/20 0.34
BRAF P15056 1/20 0.34
JAK2 O60674 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL80255 0.85 ROCK2 (0.43) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL78827 0.85 KMT2A (0.38) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL82345 0.82 CSF1R (0.39) RAB9ANPC1KDM4ESMN1; SMN2HDAC1
SCHEMBL77813 0.82 RAB9A (0.45) RAB9ANPC1KDM4EFLT3GAA
SCHEMBL79492 0.81 MEN1 (0.41) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL83205 0.80 CXCR1 (0.37) KMT2AMEN1NPC1HDAC1HDAC6
SCHEMBL81868 0.80 L3MBTL1 (0.49) RAB9AKDM4ESMN1; SMN2MAPTJAK2
SCHEMBL5014883 0.78 CSF1R (0.36) RAB9ANPC1KDM4ESMN1; SMN2HDAC1
SCHEMBL79583 0.78 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL77343 0.77 NPC1 (0.47) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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.