SCHEMBL5996779

SCHEMBL5996779

O=[N+]([O-])c1cnc(Nc2cccnc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
MAPT P10636 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 1/20 0.53
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
BCR P11274 1/20 0.52
SRC P12931 1/20 0.52
PRKCA P17252 1/20 0.52
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
GSK3B P49841 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL2497826 0.85 MEN1 (0.71) MAPTKMT2AMEN1LMNAEGFR
SCHEMBL13037068 0.82 HPGD (0.66) CYP11B1CYP11B2MAPTKMT2AMEN1
SCHEMBL5443862 0.80 TLR4 (0.58) MAPTKMT2AMEN1LMNAABL1
SCHEMBL5443864 0.80 TLR4 (0.58) MAPTKMT2AMEN1LMNAABL1
SCHEMBL12412918 0.79 KMT2A (0.70) CYP11B1CYP11B2MAPTKMT2AMEN1
SCHEMBL28393752 0.77 RAB9A (0.75) MAPTKMT2AMEN1LMNAEGFR
SCHEMBL29618407 0.77 NPC1 (0.51) MAPTKMT2AABL1EGFRPRKCA
SCHEMBL3950825 0.77 NPC1 (0.51) MAPTKMT2AABL1EGFRPRKCA
SCHEMBL28395190 0.76 MAPT (0.54) MAPTKMT2AMEN1LMNAABL1
SCHEMBL28390980 0.75 HDAC3 (0.53) MAPTKMT2AMEN1LMNAPOLB

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-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK CYP11B1 4261/4885CYP11B2 4444/4885MAPT 3758/4885

“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.