SCHEMBL4369271

SCHEMBL4369271

O=C(O)Nc1cccc(NCCCc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.53
BTK Q06187 3/20 0.41
EGFR P00533 9/20 0.41
JAK3 P52333 3/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MET P08581 1/20 0.40
ALK Q9UM73 1/20 0.40
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL1082504 0.88 JAK3 (0.48) BTKEGFRJAK3
SCHEMBL1025373 0.86 STK17B (0.52) CTSCBTKEGFRJAK3MET
SCHEMBL1027584 0.86 MAPT (0.51) BTKEGFRJAK3ALDH1A1HTT
SCHEMBL1072715 0.86 CTSC (0.56) CTSCKDR
SCHEMBL4334439 0.84 KMT2A (0.46) BTKEGFRJAK3MEN1ALDH1A1
SCHEMBL4333056 0.83 EGFR (0.41) CTSCBTKEGFRJAK3MET
SCHEMBL1025084 0.83 JAK3 (0.42) CTSCBTKEGFRJAK3LMNA
SCHEMBL1024973 0.83 CTSC (0.40) CTSCBTKEGFRJAK3
SCHEMBL4364555 0.83 JAK3 (0.43) CTSCBTKEGFRJAK3KMT2A
SCHEMBL4335022 0.83 BTK (0.42) CTSCBTKEGFRJAK3KMT2A

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 CTSC 1827/4885BTK 20/4885EGFR 180/4885

“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.