SCHEMBL12409648

SCHEMBL12409648

CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCCCCCC(=O)O)c23)nc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.56
CHEK1 O14757 2/20 0.54
KMT2A Q03164 2/20 0.53
RAD52 P43351 1/20 0.53
MAP2K1 Q02750 1/20 0.52
AURKB Q96GD4 2/20 0.51
EGFR P00533 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL2177367 0.92 AURKA (0.58) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL6750413 0.90 AURKA (0.64) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL12409647 0.89 AURKA (0.58) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL4525559 0.86 CHEK1 (0.72) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL6750540 0.85 AURKA (0.63) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL4527832 0.83 AURKA (0.66) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL6750161 0.82 AURKA (0.66) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL6750552 0.82 AURKA (0.62) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL2180882 0.82 AURKA (0.60) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL6750415 0.81 AURKA (0.67) AURKACHEK1KMT2ARAD52MAP2K1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP AURKA 2987/4885CHEK1 800/4885KMT2A 1997/4885

“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.