SCHEMBL22243293

SCHEMBL22243293

Nc1ncnc2c1c(I)nn2C1CCCC(O)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.74
SRC P12931 6/20 0.74
RET P07949 3/20 0.74
JAK2 O60674 2/20 0.74
DYRK3 O43781 2/20 0.74
CDK1 P06493 2/20 0.74
ROS1 P08922 2/20 0.74
RPS6KB1 P23443 2/20 0.74
CDK2 P24941 2/20 0.74
CSNK1A1 P48729 2/20 0.74
CSNK1D P48730 2/20 0.74
CLK2 P49760 2/20 0.74
IRAK1 P51617 2/20 0.74
CDK5 Q00535 2/20 0.74
DYRK1A Q13627 2/20 0.74
NTRK3 Q16288 2/20 0.74
SLK Q9H2G2 2/20 0.74
CLK4 Q9HAZ1 2/20 0.74
CDC7 O00311 1/20 0.74
PLK4 O00444 1/20 0.74

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
SCHEMBL22243341 1.00 KDR (0.74) KDRSRCRETJAK2DYRK3
SCHEMBL22243320 0.92 KDR (0.87) KDRSRCRETJAK2DYRK3
SCHEMBL401336 0.89 KDR (0.77) KDRSRCRETJAK2DYRK3
SCHEMBL30321053 0.89 KDR (0.77) KDRSRCRETJAK2DYRK3
SCHEMBL12422280 0.88 KDR (0.80) KDRSRCRETJAK2DYRK3
SCHEMBL22243295 0.87 KDR (0.56) KDRSRCRETJAK2DYRK3
SCHEMBL29590269 0.86 SRC (0.77) KDRSRCRETJAK2DYRK3
SCHEMBL1318717 0.86 SRC (0.77) KDRSRCRETJAK2DYRK3
SCHEMBL6109045 0.85 KDR (1.00) KDRSRCRETJAK2DYRK3
SCHEMBL6109435 0.85 KDR (1.00) KDRSRCRETJAK2DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179027-A1 CYCLOALKYL OR HETEROCYCLYL SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2025-06-05 US disclosed
EP-4474377-A1 CYCLOALKYL OR HETEROCYCLYL SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF Shenzhen TargetRx, Inc. (CN) 2024-12-11 EP disclosed
WO-2023165570-A1 CYCLOALKYL OR HETEROCYCLYL SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2023-09-07 WO disclosed
CN-116693458-A Cycloalkyl or heterocyclyl substituted heteroaryl compounds, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2023-09-05 CN disclosed
CN-116589465-A Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2023-08-15 CN disclosed
CN-113710671-B Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2023-04-28 CN disclosed
CN-113710671-A Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2021-11-26 CN disclosed
EP-3912980-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR Minghui Pharmaceutical (Shanghai) Limited (CN) 2021-11-24 EP disclosed
WO-2020147798-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR 明慧医药(上海)有限公司 2020-07-23 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 (1 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-20250179027-A1 CYCLOALKYL OR HETEROCYCLYL SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF BTK, LYN, SYK KDR 852/4885SRC 7/4885RET 203/4885

“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.