SCHEMBL83602

SCHEMBL83602

O=C(Nc1ccc(OCCN2CCOCC2)nc1)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD38 P28907 2/20 0.44
CLK2 P49760 4/20 0.43
DYRK1A Q13627 4/20 0.43
POLB P06746 1/20 0.41
CLK3 P49761 2/20 0.41
KDM4E B2RXH2 1/20 0.40
SYK P43405 2/20 0.40
EPHX2 P34913 4/20 0.39
MTOR P42345 2/20 0.38
PIK3CA P42336 1/20 0.38
GSK3A P49840 1/20 0.38
MAPK14 Q16539 1/20 0.38
CASR P41180 1/20 0.37
KDM5B Q9UGL1 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
SCHEMBL83601 0.89 POLB (0.40) CD38CLK2DYRK1APOLBKDM4E
SCHEMBL83205 0.84 CXCR1 (0.37) CD38
SCHEMBL79583 0.82 RAB9A (0.48) MTOR
SCHEMBL81868 0.75 L3MBTL1 (0.49) DYRK1AKDM4ESYKMTORPIK3CA
SCHEMBL80255 0.75 ROCK2 (0.43) KDM4E
SCHEMBL77343 0.75 NPC1 (0.47) MTORMAPK14
SCHEMBL81359 0.74 FLT3 (0.45)
SCHEMBL78828 0.73 KMT2A (0.38) KDM4E
SCHEMBL83204 0.73 CXCR1 (0.38)
SCHEMBL77813 0.72 RAB9A (0.45) CLK2DYRK1ACLK3KDM4E

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 CD38 3679/4885CLK2 581/4885DYRK1A 1330/4885

“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.