SCHEMBL1108413

SCHEMBL1108413

O=C(Cc1ccc(Oc2ncnc3ccccc23)cc1)Nc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KDR P35968 4/20 0.52
PDGFRB P09619 8/20 0.52
FLT3 P36888 7/20 0.52
FLT4 P35916 7/20 0.52
CSF1R P07333 3/20 0.52
EGFR P00533 1/20 0.51
BTK Q06187 1/20 0.51
RAF1 P04049 1/20 0.48
KIT P10721 1/20 0.48
FLT1 P17948 1/20 0.48
BRAF P15056 1/20 0.46
MAPK14 Q16539 1/20 0.46
TNNI3K Q59H18 1/20 0.46
GAA P10253 1/20 0.46
ROCK2 O75116 2/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL1108398 0.85 KDR (0.69) KDRPDGFRBFLT3FLT4CSF1R
SCHEMBL13937022 0.80 PDGFRB (0.54) KMT2AMEN1KDRPDGFRBFLT3
SCHEMBL4575591 0.76 KMT2A (0.68) KMT2AMEN1SLC6A2SLC6A3GAA
SCHEMBL4908980 0.74 KMT2A (0.82) KMT2AMEN1SLC6A2SLC6A3GAA
SCHEMBL10296638 0.72 GAA (0.59) KMT2AMEN1SLC6A2SLC6A3GAA
SCHEMBL6490488 0.72 KMT2A (0.74) KMT2AMEN1SLC6A2SLC6A3GAA
SCHEMBL29270879 0.72 KMT2A (1.00) KMT2AMEN1SLC6A2SLC6A3GAA
Difenpiramide SCHEMBL23833 0.72 KMT2A (1.00) KMT2AMEN1SLC6A2SLC6A3GAA
Difenpiramide SCHEMBL29238669 0.72 KMT2A (1.00) KMT2AMEN1SLC6A2SLC6A3GAA
SCHEMBL17675332 0.72 BTK (0.70) KMT2AMEN1KDRCSF1REGFR

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-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 KMT2A 3566/4885MEN1 662/4885SLC6A2 673/4885

“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.