SCHEMBL4122229

SCHEMBL4122229

COc1ccc(C)cc1Nc1nc(N)nc2ncc(-c3ccc(OC)c(OC)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.47
DHFR P00374 4/20 0.47
MEN1 O00255 1/20 0.46
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
BRAF P15056 1/20 0.45
MAP3K5 Q99683 1/20 0.45
KIT P10721 6/20 0.45
DYRK1A Q13627 3/20 0.43
AAK1 Q2M2I8 1/20 0.43
DYRK1B Q9Y463 2/20 0.43

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
SCHEMBL4064225 0.81 PIK3CA (0.47) PIK3CAKITDYRK1AAAK1DYRK1B
SCHEMBL4062147 0.80 EGFR (0.61) MAPTBRAF
SCHEMBL4074235 0.80 NOS1 (0.48) PIK3CAKITDYRK1ADYRK1B
SCHEMBL4063917 0.78 PIK3CA (0.54) PIK3CAKITDYRK1ADYRK1B
SCHEMBL4069149 0.77 APP (0.58) DHFRMEN1MAPTKMT2AAAK1
SCHEMBL4071579 0.76 EGFR (0.55) PIK3CAMEN1TP53MAPTKMT2A
SCHEMBL4069132 0.76 APP (0.59) MEN1MAPTKMT2A
SCHEMBL4524104 0.74 MAPT (0.46) DHFRMEN1MITFTP53POLB
SCHEMBL4070207 0.73 GAK (0.48) PIK3CAKITDYRK1ADYRK1B
SCHEMBL4071679 0.71 NOS1 (0.69) PIK3CAMEN1KMT2ADYRK1ADYRK1B

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-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 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-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PIK3CA 1172/4885DHFR 16/4885MEN1 3783/4885

“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.