SCHEMBL5569131

SCHEMBL5569131

COc1c(C)cccc1Nc1ncnc2c(C)cccc12

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.48
EGFR P00533 3/20 0.47
TP53 P04637 2/20 0.43
KIF5B P33176 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.42
KDR P35968 1/20 0.41

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
SCHEMBL5564423 0.79 HTT (0.56) RETEGFRKIF5BKDM4EALDH1A1
SCHEMBL5569127 0.79 MEN1 (0.48) TP53KDM4EALDH1A1MAPTHPGD
SCHEMBL5569470 0.75 EGFR (0.58) RETEGFRKDM4EALDH1A1HPGD
SCHEMBL5564595 0.75 ABCG2 (0.67) RETEGFRKIF5BKDM4EALDH1A1
SCHEMBL5569119 0.74 TP53 (0.50) RETEGFRTP53KIF5BMAPT
SCHEMBL5564904 0.72 KDR (0.42) RETEGFRTP53KIF5BMAPT
SCHEMBL5568069 0.71 JAK2 (0.56) EGFRTP53KDM4EALDH1A1MAPT
SCHEMBL5569346 0.71 CCNT1 (0.50) EGFRKDM4EALDH1A1MAPTHPGD
SCHEMBL5569113 0.71 EGFR (0.53) EGFRKDM4EALDH1A1HPGDKDR
SCHEMBL5570053 0.71 HPGD (0.52) EGFRKDM4EALDH1A1MAPTHPGD

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-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 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-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections IRF3, PML, TPMT RET 2776/4885EGFR 1445/4885TP53 135/4885

“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.