SCHEMBL19230428

SCHEMBL19230428

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.56
LCK P06239 2/20 0.44
SRC P12931 2/20 0.44
TNK2 Q07912 5/20 0.42
TEK Q02763 1/20 0.41

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
SCHEMBL8819946 0.91 BTK (0.43) BTKSRC
Tert-Butyl Formate SCHEMBL28231423 0.91 BTK (0.48) BTKLCKSRC
SCHEMBL5250649 0.89 TNK2 (0.47) BTKLCKSRCTNK2TEK
SCHEMBL409545 0.88 HTR6 (0.43) BTKSRCTNK2
SCHEMBL23847508 0.88 TNK2 (0.48) BTKLCKSRCTNK2TEK
SCHEMBL8819702 0.85 EGFR (0.41) BTKLCKSRCTNK2
SCHEMBL21044835 0.82 BTK (0.73) BTKTNK2
SCHEMBL23834462 0.81 BTK (0.45) BTKLCKTNK2
SCHEMBL22710626 0.80 BTK (0.56) BTKLCKSRC
SCHEMBL8820010 0.79 EGFR (0.43) SRCTNK2

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
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
US-10435409-B2 Process for the preparation of ibrutinib SHILPA MEDICARE LIMITED 2019-10-08 US disclosed
CN-109851620-A For inhibiting the condensed-bicyclic class compound of tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2019-06-07 CN disclosed
EP-3492471-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE Shenzhen Targetrx, Inc. (CN) 2019-06-05 EP disclosed
CN-108368119-B Fused Bicyclic Compounds for Inhibiting Tyrosine Kinase Activity 深圳市塔吉瑞生物医药有限公司 2019-04-23 CN disclosed
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2019-02-07 US disclosed
WO-2017134588-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2017-08-10 WO 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 (4 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 2/4885LCK 1/4885SRC 15/4885
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB BTK, SYK, JAK1 BTK 1/4885LCK 45/4885SRC 90/4885
US-20210070758-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE LCK, BTK, LYN BTK 2/4885LCK 1/4885SRC 4/4885
US-10435409-B2 Process for the preparation of ibrutinib BTK, SYK, JAK1 BTK 1/4885LCK 58/4885SRC 102/4885

“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.