SCHEMBL20355294

SCHEMBL20355294

CCC1CN(C(=O)OC(C)(C)C)CCC1(O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GPR119 Q8TDV5 6/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TACR1 P25103 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL20354988 0.86 NR1H2 (0.36) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL21541692 0.84 NR1H2 (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL21748879 0.78 NR1H2 (0.39) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL23856544 0.77 OPRD1 (0.39) JAK2JAK1GPR119TACR1OPRD1
SCHEMBL18314372 0.76 NR1H2 (0.41) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL1086226 0.75 USP2 (0.47) GPR119USP2SMN1; SMN2TACR1OPRD1
SCHEMBL20913835 0.75 NR1H2 (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL18309946 0.73 NR1H2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL18298228 0.73 NR1H2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL31511540 0.73 GPR119 (0.42) NR1H2MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567030-B1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC (CN) 2022-02-09 EP disclosed
EP-3567030-B1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC (CN) 2022-02-09 EP disclosed
US-11040984-B2 Quinazoline compound for EGFR inhibition MEDSHINE DISCOVERY INC. (CN) 2021-06-22 US disclosed
US-11040984-B2 Quinazoline compound for EGFR inhibition MEDSHINE DISCOVERY INC. (CN) 2021-06-22 US disclosed
US-20200190107-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC. (CN) 2020-06-18 US disclosed
US-20200190107-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC. (CN) 2020-06-18 US disclosed
EP-3567030-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed
EP-3567030-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed
WO-2018121758-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION 南京明德新药研发股份有限公司 2018-07-05 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-11040984-B2 Quinazoline compound for EGFR inhibition EGFR, ERBB2, ERBB4 NR1H2 2047/4885MEN1 3587/4885ALDH1A1 3390/4885
US-20200190107-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION EGFR, ERBB2, ERBB4 NR1H2 2047/4885MEN1 3587/4885ALDH1A1 3390/4885

“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.