SCHEMBL17128352

SCHEMBL17128352

C[C@@H]1CN(C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 1/20 0.49
RECQL P46063 1/20 0.49
HPGD P15428 1/20 0.48
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
EPHX1 P07099 1/20 0.46
MAPT P10636 2/20 0.45
GPR119 Q8TDV5 3/20 0.43
THRB P10828 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42

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
SCHEMBL17953645 0.93 KDM4E (0.48) KDM4ESMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL24267253 0.88 HPGD (0.53) KDM4ESMN1; SMN2ALDH1A1RECQLHPGD
SCHEMBL1990606 0.86 NR1H2 (0.45) KDM4ESMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL28688526 0.85 RECQL (0.49) KDM4ESMN1; SMN2KMT2ARECQLHPGD
SCHEMBL521309 0.85 ALDH1A1 (0.47) KDM4ESMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL2549315 0.83 HPGD (0.51) KDM4ESMN1; SMN2ALDH1A1RECQLHPGD
SCHEMBL21871397 0.82 HPGD (0.48) KDM4ESMN1; SMN2ALDH1A1RECQLHPGD
SCHEMBL14317702 0.82 RECQL (0.52) KDM4ESMN1; SMN2RECQLHPGDUSP2
SCHEMBL1675672 0.82 HPGD (0.50) KDM4ESMN1; SMN2ALDH1A1RECQLHPGD
SCHEMBL20292248 0.82 NR1H2 (0.51) KDM4ESMN1; SMN2RECQLHPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 US disclosed
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed
WO-2015144001-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS 南京明德新药研发股份有限公司 2015-10-01 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 (3 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH KDM4E 415/4885SMN1; SMN2 4029/4885KMT2A 325/4885
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR KDM4E 2752/4885SMN1; SMN2 4772/4885KMT2A 3524/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR KDM4E 2752/4885SMN1; SMN2 4772/4885KMT2A 3524/4885

“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.