SCHEMBL5017322

SCHEMBL5017322

CNC(=O)N(c1ccc(N2CCOCC2)cc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.43
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
NAMPT P43490 1/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKMYT1 Q99640 2/20 0.38
INSR P06213 1/20 0.38
IGF1R P08069 1/20 0.38
PTK2 Q05397 1/20 0.38
PTK2B Q14289 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
SLC2A1 P11166 1/20 0.37
MTOR P42345 1/20 0.37
ULK1 O75385 1/20 0.36
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL82345 0.80 CSF1R (0.39) FLT3RAB9ASMN1; SMN2NPC1JAK2
SCHEMBL5017318 0.77 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBMAPTALDH1A1
SCHEMBL3480763 0.76 TTBK1 (0.38) FLT3PIK3CAPIK3CDMAPTRAB9A
SCHEMBL79583 0.76 RAB9A (0.48) MAPTRAB9ASMN1; SMN2MTORNPC1
SCHEMBL77343 0.75 NPC1 (0.47) FLT3MAPTRAB9ASMN1; SMN2MTOR
SCHEMBL5014220 0.74 ALDH1A1 (0.40) PIK3CAPIK3CDPIK3CBALDH1A1SMN1; SMN2
SCHEMBL81359 0.74 FLT3 (0.45) FLT3ALDH1A1
SCHEMBL83680 0.72 SYK (0.38) NAMPTMTORJAK2
SCHEMBL5014883 0.69 CSF1R (0.36) FLT3RAB9ASMN1; SMN2NPC1JAK2
SCHEMBL5014219 0.69 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 FLT3 404/4885PIK3CA 2/4885PIK3CD 7/4885

“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.