SCHEMBL10054289

SCHEMBL10054289

COc1cccc(Cc2nc3cc(C=O)ccc3c(=O)[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
MMP13 P45452 1/20 0.50
PDE5A O76074 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46

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
SCHEMBL13367923 0.86 MMP13 (0.53) KMT2AMMP13PDE5AGRIN1GRIN2B
SCHEMBL10054202 0.83 POLB (0.53) KMT2ACCNE2CDK4CCND1CCNE1
SCHEMBL401645 0.82 PDE5A (0.72) KMT2AMMP13PDE5A
SCHEMBL17888978 0.81 MMP13 (0.58) KMT2AMMP13PDE5AGRIN1GRIN2B
SCHEMBL399659 0.81 PDE5A (0.59) KMT2AMMP13PDE5APARP14SMN1; SMN2
SCHEMBL943018 0.80 GRIN1 (0.51) KMT2AMMP13GRIN1GRIN2BALPL
SCHEMBL10054290 0.79 MAPK1 (0.48) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13368101 0.79 ALDH1A1 (0.54) KMT2APDE5APARP14CCNB2CCNE2
SCHEMBL402059 0.76 PDE5A (0.61) KMT2AMMP13PDE5AGRIN1GRIN2B
SCHEMBL31716381 0.76 PARP14 (0.54) KMT2AMMP13GRIN1GRIN2BTUBB4A

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-8101624-B2 Quinazoline derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-24 US disclosed
US-20090318478-A1 QUINAZOLINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. 2009-12-24 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-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A KMT2A 3246/4885MMP13 2568/4885PDE5A 3/4885

“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.