SCHEMBL5017723

SCHEMBL5017723

O=C(Nc1ncc[nH]1)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NR3C1 P04150 1/20 0.36
HPGDS O60760 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
FLT3 P36888 1/20 0.32
BRAF P15056 1/20 0.32
FFAR2 O15552 1/20 0.32
CSF1R P07333 1/20 0.32
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31

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
SCHEMBL5017721 0.84 CA1 (0.36) CA1CA2NR3C1HPGDSNPC1
SCHEMBL80255 0.83 ROCK2 (0.43) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL79492 0.82 MEN1 (0.41) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL5014883 0.81 CSF1R (0.36) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL77813 0.80 RAB9A (0.45) NPC1RAB9AKDM4EFLT3TSHR
SCHEMBL82345 0.80 CSF1R (0.39) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL79935 0.79 CSF1R (0.39) CA1CA2NPC1RAB9AHDAC1
SCHEMBL81783 0.77 CSF1R (0.40) CA1CA2NPC1RAB9AHDAC1
SCHEMBL5028849 0.77 FLT3 (0.37) CA1CA2HDAC1HDAC6FLT3
SCHEMBL83293 0.77 GSK3A (0.38) CA1CA2HDAC1HDAC6ROCK2

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 CA1 4735/4885CA2 3625/4885NR3C1 764/4885

“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.