SCHEMBL21044835

SCHEMBL21044835

Nc1ncnc2c(C3CCCNC3)nn(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.73
EGFR P00533 1/20 0.46
TNK2 Q07912 1/20 0.43

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
SCHEMBL16828228 0.84 BTK (1.00) BTK
SCHEMBL19230428 0.82 BTK (0.56) BTKTNK2
SCHEMBL22710619 0.80 BTK (0.64) BTK
SCHEMBL21044836 0.77 BTK (0.76) BTKEGFR
SCHEMBL21044837 0.77 BTK (0.76) BTKEGFR
SCHEMBL21044852 0.77 BTK (0.76) BTKEGFR
SCHEMBL28956018 0.76 BTK (0.47) BTKEGFR
SCHEMBL29989278 0.76 BTK (0.47) BTKEGFR
SCHEMBL21044845 0.75 BTK (0.60) BTK
Tert-Butyl Formate SCHEMBL28231423 0.74 BTK (0.48) BTK

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 6 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
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 1055/4885TNK2 158/4885
US-20210070758-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE LCK, BTK, LYN BTK 2/4885EGFR 487/4885TNK2 107/4885

“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.