SCHEMBL21044837

SCHEMBL21044837

C=CC(=O)N1CCCC(c2nn(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)C1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.76
EGFR P00533 2/20 0.62
RIPK2 O43353 1/20 0.62
LCK P06239 1/20 0.62
FYN P06241 1/20 0.62
YES1 P07947 1/20 0.62
LYN P07948 1/20 0.62
HCK P08631 1/20 0.62
SRC P12931 1/20 0.62
CSK P41240 1/20 0.62
TEC P42680 1/20 0.62
PTK6 Q13882 1/20 0.62

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
SCHEMBL21044852 1.00 BTK (0.76) BTKEGFRRIPK2LCKFYN
SCHEMBL21044836 1.00 BTK (0.76) BTKEGFRRIPK2LCKFYN
SCHEMBL22710619 0.90 BTK (0.64) BTK
SCHEMBL23170868 0.86 BTK (1.00) BTK
SCHEMBL23170689 0.86 BTK (1.00) BTK
SCHEMBL18167382 0.86 BTK (1.00) BTK
SCHEMBL21044845 0.85 BTK (0.60) BTK
SCHEMBL21044860 0.84 BTK (0.69) BTKEGFRRIPK2LCKFYN
SCHEMBL11959218 0.84 BTK (0.69) BTKEGFRRIPK2LCKFYN
SCHEMBL21044818 0.84 BTK (0.69) BTKEGFRRIPK2LCKFYN

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 BTK 2/4885EGFR 1055/4885RIPK2 361/4885
US-20210070758-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE LCK, BTK, LYN BTK 2/4885EGFR 487/4885RIPK2 317/4885

“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.