SCHEMBL21541692

SCHEMBL21541692

CC1CN(C(=O)OC(C)(C)C)CCC1(O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.36
EPHX2 P34913 1/20 0.36
GPR119 Q8TDV5 4/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL25684315 0.85 NR1H2 (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL21541673 0.85 NR1H2 (0.36) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL20355294 0.84 NR1H2 (0.38) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL31094785 0.80 USP2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL15543924 0.80 EPHX1 (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL25484581 0.79 USP2 (0.41) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL26099571 0.79 USP2 (0.41) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL25187478 0.79 USP2 (0.41) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL1086226 0.77 USP2 (0.47) USP2SMN1; SMN2HPGDEPHX2GPR119
SCHEMBL15415766 0.76 USP2 (0.41) 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 4 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
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
EP-3567030-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION Medshine Discovery Inc. (CN) 2019-11-13 EP 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.