SCHEMBL21044864

SCHEMBL21044864

COC(=O)C(C#N)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.41
USP30 Q70CQ3 2/20 0.41
CTSK P43235 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
DPP4 P27487 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL11931409 0.82 EPHX1 (0.49) ALDH1A1MAPTMEN1KMT2AEPHX1
SCHEMBL20994933 0.81 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AEPHX1
SCHEMBL1556017 0.81 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AEPHX1
SCHEMBL21044850 0.79 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AEPHX1
SCHEMBL12384596 0.77 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AEPHX1
SCHEMBL12125458 0.77 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AEPHX1
SCHEMBL13602874 0.77 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AEPHX1
SCHEMBL25597565 0.77 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AEPHX1
SCHEMBL23274952 0.77 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2AEPHX1
SCHEMBL13602873 0.77 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023071973-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE SHENZHEN TARGETRX, INC. (CN) 2023-05-04 WO disclosed
CN-113493439-B Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2022-10-14 CN disclosed
US-11186578-B2 Substituted pyrrolo[3,2-d]pyrimidines and pyrazolo[4,3-d]pyrimidines as tyrosine kinase inhibitors SHENZHEN TARGETRX, INC. (CN) 2021-11-30 US disclosed
US-11186578-B2 Substituted pyrrolo[3,2-d]pyrimidines and pyrazolo[4,3-d]pyrimidines as tyrosine kinase inhibitors SHENZHEN TARGETRX, INC. (CN) 2021-11-30 US disclosed
US-20210070758-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE Shenzhen TargetRx. Inc. (CN) 2021-03-11 US disclosed
US-20210070758-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE Shenzhen TargetRx. Inc. (CN) 2021-03-11 US disclosed
EP-3492471-B1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE SHENZHEN TARGETRX INC (CN) 2020-12-02 EP disclosed
EP-3492471-B1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE SHENZHEN TARGETRX INC (CN) 2020-12-02 EP disclosed
CN-109851620-B Fused bicyclic compounds for inhibiting tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2020-08-07 CN disclosed
EP-3492471-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE Shenzhen Targetrx, Inc. (CN) 2019-06-05 EP disclosed
EP-3492471-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE Shenzhen Targetrx, Inc. (CN) 2019-06-05 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-11186578-B2 Substituted pyrrolo[3,2-d]pyrimidines and pyrazolo[4,3-d]pyrimidines as tyrosine kinase inhibitors LCK, BTK, BRAF ALDH1A1 3535/4885MAPT 2283/4885MEN1 4809/4885
US-20210070758-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE LCK, BTK, LYN ALDH1A1 4246/4885MAPT 1495/4885MEN1 4493/4885

“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.