SCHEMBL5453911

SCHEMBL5453911

Oc1ccc2c(O)ncnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.46
ESR2 Q92731 3/20 0.42
ESR1 P03372 2/20 0.42
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR8 Q9NR97 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
ENPP2 Q13822 1/20 0.39
MAP4K4 O95819 1/20 0.38
RET P07949 5/20 0.37
KDR P35968 5/20 0.37
ALK Q9UM73 2/20 0.37
GAK O14976 1/20 0.37
RIPK2 O43353 1/20 0.37
STK10 O94804 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL1192531 0.83 PARP1 (0.47) EGFRESR2ESR1ALDH1A1KDM4E
SCHEMBL30317618 0.83 PARP1 (0.47) EGFRESR2ESR1ALDH1A1KDM4E
SCHEMBL1766094 0.79 CSF1R (0.42) EGFRMEN1KMT2AKDM4EMAP4K4
SCHEMBL4417636 0.79 NR4A2 (0.47) ALDH1A1MEN1KMT2ATLR8KDM4E
SCHEMBL1947700 0.79 LMNA (0.46) EGFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL14579633 0.79 CHEK1 (0.44) EGFRALDH1A1KDM4EMAP4K4KDR
SCHEMBL13702434 0.79 EGFR (0.32) EGFR
SCHEMBL31549968 0.79 CSF1R (0.42) EGFRMEN1KMT2AKDM4EMAP4K4
SCHEMBL2082154 0.79 EGFR (0.51) EGFRMEN1KMT2AMAP4K4KDR
SCHEMBL148968 0.79 EGFR (0.39) EGFRRETKDRALKGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306640-A1 HYDANTOIN DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-29 US disclosed
US-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 US disclosed
US-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 US disclosed
US-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 US disclosed
EP-1670786-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-21 EP disclosed
WO-2005030757-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
EP-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 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 (2 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-20070043010-A1 Quinazoline derivatives ERBB2, ABL1, EGFR EGFR 3/4885ESR2 803/4885ESR1 667/4885
US-20220306640-A1 HYDANTOIN DERIVATIVE DDR1, DDR2, DDRGK1 EGFR 1033/4885ESR2 3436/4885ESR1 4016/4885

“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.