SCHEMBL21044819

SCHEMBL21044819

CC(C)(C)OC(=O)N1CCC/C(=C\C#N)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
CTSK P43235 1/20 0.41
ESR2 Q92731 1/20 0.41
NR1H2 P55055 2/20 0.40
HPGD P15428 1/20 0.40
GRM5 P41594 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA1 P30542 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
EPHX1 P07099 1/20 0.35
LMNA P02545 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
SCHEMBL19331872 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL19331833 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL30803371 0.92 ESR2 (0.46) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL2558056 0.92 ESR2 (0.46) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL14954612 0.92 ESR2 (0.46) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL20660282 0.89 GRM5 (0.49) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL20660281 0.89 GRM5 (0.49) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL344121 0.85 USP2 (0.41) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL99227 0.82 GRM5 (0.53) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL991492 0.82 ESR2 (0.45) MEN1KMT2AALDH1A1MAPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 3118/4885ALDH1A1 3535/4885
US-20210070758-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE LCK, BTK, LYN MEN1 4493/4885KMT2A 1821/4885ALDH1A1 4246/4885

“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.