SCHEMBL13623218

SCHEMBL13623218

CN1CCN(c2ccc(Nc3nc(Cl)ncc3Cl)cc2CCc2cccc(NC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.51
CCNT1 O60563 1/20 0.45
CCNK O75909 1/20 0.45
CYP3A4 P08684 1/20 0.45
CCND3 P30281 1/20 0.45
CDK9 P50750 1/20 0.45
CDK6 Q00534 1/20 0.45
BRD4 O60885 6/20 0.44
JAK2 O60674 1/20 0.43
PAK1 Q13153 1/20 0.43
EGFR P00533 2/20 0.43
CTSC P53634 1/20 0.42

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
SCHEMBL13623215 0.92 JAK3 (0.48) JAK3BRD4JAK2EGFR
SCHEMBL13623228 0.88 JAK3 (0.39) JAK3EGFR
SCHEMBL1025654 0.88 EGFR (0.42) JAK3CCNKCCND3CDK9CDK6
SCHEMBL4365340 0.87 JAK3 (0.39) JAK3BRD4EGFR
SCHEMBL13622745 0.86 SYK (0.43) JAK3BRD4EGFR
SCHEMBL1027969 0.84 EGFR (0.43) JAK3EGFR
SCHEMBL1025626 0.84 SYK (0.42) JAK3BRD4EGFR
SCHEMBL1083564 0.83 ALK (0.36) JAK3JAK2EGFR
SCHEMBL1026903 0.82 STK17B (0.41) BRD4EGFR
SCHEMBL13622525 0.81 MAPK9 (0.42) JAK3CCNKCCND3CDK9CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK JAK3 4/4885CCNT1 1529/4885CCNK 468/4885

“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.