SCHEMBL5014883

SCHEMBL5014883

O=C(NO)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HDAC6 Q9UBN7 5/20 0.36
HDAC1 Q13547 4/20 0.36
CCNE2 O96020 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
FLT3 P36888 1/20 0.34
BRAF P15056 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
JAK2 O60674 1/20 0.33
HDAC4 P56524 1/20 0.33

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 0.88 CSF1R (0.39) CSF1RCA1CA2HDAC6HDAC1
SCHEMBL79935 0.87 CSF1R (0.39) CSF1RCA1CA2HDAC6HDAC1
SCHEMBL80255 0.87 ROCK2 (0.43) CA1CA2HDAC6HDAC1ROCK2
SCHEMBL81783 0.85 CSF1R (0.40) CSF1RCA1CA2HDAC6HDAC1
SCHEMBL83293 0.85 GSK3A (0.38) CSF1RCA1CA2HDAC6HDAC1
SCHEMBL5015656 0.85 CSF1R (0.39) CSF1RCA1CA2HDAC6HDAC1
SCHEMBL5028849 0.85 FLT3 (0.37) CSF1RCA1CA2HDAC6HDAC1
SCHEMBL80203 0.84 HDAC6 (0.34) CSF1RCA1CA2HDAC6HDAC1
SCHEMBL83595 0.84 PKM (0.40) CSF1RCCNE2CCNE1CDK2ROCK2
SCHEMBL5027077 0.83 HDAC6 (0.36) CSF1RHDAC6HDAC1CCNE2CCNE1

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 CSF1R 3094/4885CA1 4735/4885CA2 3625/4885

“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.