SCHEMBL21044848

SCHEMBL21044848

COC(=O)/C(C#N)=C1/CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NR1H2 P55055 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR2 Q92731 1/20 0.38
CTSK P43235 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.36
ADORA1 P30542 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 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
SCHEMBL28645867 1.00 MEN1 (0.39) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL21680263 0.84 SMN1; SMN2 (0.42) NR1H2MAPTALDH1A1ESR2CTSK
SCHEMBL28457997 0.83 SMN1; SMN2 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3806239 0.81 MAPT (0.41) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL3806240 0.81 MAPT (0.41) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL31465204 0.79 MEN1 (0.49) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL3806372 0.79 MEN1 (0.43) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL3252604 0.79 MEN1 (0.43) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL3252597 0.79 MEN1 (0.43) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL13155039 0.77 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1CTSK

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
WO-2023071973-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE SHENZHEN TARGETRX, INC. (CN) 2023-05-04 WO 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 MEN1 4809/4885KMT2A 3118/4885NR1H2 3768/4885
US-20210070758-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE LCK, BTK, LYN MEN1 4493/4885KMT2A 1821/4885NR1H2 2276/4885

“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.