SCHEMBL4769711

SCHEMBL4769711

O=Cc1cnc2sc(-c3ccccc3)cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.41
GSTO1 P78417 1/20 0.37
KDR P35968 2/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
ATM Q13315 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
SCD O00767 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL3259526 0.68 EGFR (0.45) EGFRALDH1A1MAPTKDM4ELMNA
SCHEMBL7331667 0.67 RAB9A (0.52) CYP2C9CYP2A6ALDH1A1MAPTCDK5
SCHEMBL28686949 0.67 EGFR (0.47) EGFRALDH1A1MAPTPTGS2ATM
SCHEMBL3505055 0.65 KDR (0.47) GSTO1KDRERCC5FEN1CCNE1
SCHEMBL5251357 0.65 KDR (0.62) KDR
SCHEMBL474103 0.64 HPGDS (0.51) CYP3A4ALDH1A1MAPTATMKDM4E
SCHEMBL567444 0.64 EGFR (0.47) EGFRKDRERCC5FEN1ALDH1A1
SCHEMBL10370967 0.63 EGFR (0.43) EGFRCYP3A4CYP2C9ALDH1A1MAPT
SCHEMBL18137210 0.62 PTGS2 (0.36) CYP2C9CYP2C19ALDH1A1MAPTPTGS2
SCHEMBL70783 0.62 APP (0.67) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575963-B1 ANTI-ANGIOGENETIC THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
US-20060069109-A1 Therapeutic agents ASTRAZENECA AB (SE) 2006-03-30 US disclosed
EP-1575963-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058776-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-15 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-20060069109-A1 Therapeutic agents TIE1, TEK, KDR EGFR 33/4885GSTO1 2843/4885KDR 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.