SCHEMBL22807398

SCHEMBL22807398

CN1CCN(c2ccc(Nc3nc(Nc4ccccc4N)c4sccc4n3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.60
BRD4 O60885 2/20 0.56
JAK2 O60674 1/20 0.56
CCNK O75909 2/20 0.52
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
CCND3 P30281 2/20 0.52
CDK9 P50750 2/20 0.52
CDK6 Q00534 2/20 0.52
PTK2 Q05397 2/20 0.51
EGFR P00533 6/20 0.49
ALK Q9UM73 2/20 0.49
BTK Q06187 2/20 0.49
ABCB11 O95342 1/20 0.49
ESR1 P03372 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL22807405 0.85 BRD4 (0.59) IRAK4BRD4CCNKCCNA2CDK2
SCHEMBL21099696 0.84 IRAK4 (0.56) IRAK4BRD4JAK2CCNKCCNA2
SCHEMBL21099572 0.84 IRAK4 (0.56) IRAK4BRD4JAK2CCNKCCNA2
SCHEMBL21099556 0.84 IRAK4 (0.56) IRAK4BRD4JAK2CCNKCCNA2
SCHEMBL19867214 0.83 PTK2 (0.59) IRAK4BRD4JAK2PTK2EGFR
SCHEMBL19867185 0.82 ALK (0.63) IRAK4BRD4JAK2CDK2PTK2
SCHEMBL21100225 0.82 PTK2 (0.56) IRAK4BRD4JAK2CCNKCCNA2
SCHEMBL22807484 0.82 SRC (0.70) EGFRBTKABCB11ESR1CHRM2
SCHEMBL19867381 0.82 PTK2 (0.56) IRAK4BRD4JAK2CCNKCCNA2
SCHEMBL22828271 0.82 CCNK (0.52) BRD4CCNKCCNA2CDK2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365664-B2 Small molecule inhibitors of SRC tyrosine kinase DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-07-22 US disclosed
US-20220267294-A1 SMALL MOLECULE INHIBITORS OF SRC TYROSINE KINASE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-08-25 US disclosed
EP-3986411-A1 SMALL MOLECULE INHIBITORS OF SRC TYROSINE KINASE Dana-Farber Cancer Institute, Inc. (US) 2022-04-27 EP disclosed
WO-2020257385-A1 SMALL MOLECULE INHIBITORS OF SRC TYROSINE KINASE DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-24 WO disclosed
WO-2020257385-A1 SMALL MOLECULE INHIBITORS OF SRC TYROSINE KINASE DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-24 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 (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-12365664-B2 Small molecule inhibitors of SRC tyrosine kinase SRC, CTTN, LCK IRAK4 1267/4885BRD4 2102/4885JAK2 19/4885
US-20220267294-A1 SMALL MOLECULE INHIBITORS OF SRC TYROSINE KINASE SRC, CTTN, LCK IRAK4 1267/4885BRD4 2102/4885JAK2 19/4885

“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.