SCHEMBL1024973

SCHEMBL1024973

O=C(O)Nc1cncc(CCc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.40
EGFR P00533 5/20 0.40
BTK Q06187 4/20 0.39
RHOA P61586 1/20 0.39
JAK3 P52333 2/20 0.38
BCL6 P41182 2/20 0.38
PIN1 Q13526 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL1026634 0.90 SYK (0.47) EGFRBTKSYK
SCHEMBL13623059 0.86 STK17B (0.46) CTSCEGFRBTKBCL6SYK
SCHEMBL1025168 0.85 NR3C2 (0.47) CTSCEGFRBTKRHOAJAK3
SCHEMBL4348221 0.85 ALDH1A1 (0.46) CTSCEGFRBTKRHOAJAK3
SCHEMBL1025790 0.85 BCL6 (0.45) CTSCEGFRJAK3BCL6PIN1
SCHEMBL1027584 0.84 MAPT (0.51) EGFRBTKRHOAJAK3
SCHEMBL1025950 0.84 KDM4E (0.41) CTSCEGFRBTKRHOAJAK3
SCHEMBL1025084 0.84 JAK3 (0.42) CTSCEGFRBTKRHOAJAK3
SCHEMBL4333056 0.84 EGFR (0.41) CTSCEGFRBTKRHOAJAK3
Hydrochloric Acid SCHEMBL1026151 0.84 BCL6 (0.44) CTSCEGFRJAK3BCL6PIN1

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 4 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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CTSC 1827/4885EGFR 180/4885BTK 20/4885

“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.