SCHEMBL1025860

SCHEMBL1025860

Nc1cccc(CCNc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 9/20 0.48
BCL6 P41182 1/20 0.44
FCGR3B O75015 1/20 0.41
FCGR1A P12314 1/20 0.41
FCGR2A P12318 1/20 0.41
STAT6 P42226 2/20 0.41
SYK P43405 1/20 0.41
NTRK1 P04629 3/20 0.40
MAP3K8 P41279 1/20 0.39
PRMT5 O14744 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL1072715 0.93 CTSC (0.56) CTSCBCL6SYKNTRK1MAP3K8
SCHEMBL1073861 0.88 MAP3K8 (0.46) CTSCBCL6SYKNTRK1MAP3K8
SCHEMBL1026771 0.87 CTSC (0.47) CTSCBCL6SYKNTRK1PRMT5
SCHEMBL1073981 0.84 PIN1 (0.45) CTSC
SCHEMBL4175833 0.84 BCL6 (0.56) CTSCBCL6SYKJAK2JAK1
SCHEMBL1075151 0.83 CTSC (0.43) CTSCBCL6SYKJAK2JAK1
SCHEMBL1027094 0.83 BCL6 (0.43) CTSCBCL6SYKNTRK1PRMT5
SCHEMBL1023956 0.82 BCL6 (0.42) CTSCBCL6SYKNTRK1PRMT5
SCHEMBL1025790 0.80 BCL6 (0.45) CTSCBCL6NTRK1JAK2JAK1
SCHEMBL13623028 0.80 BCL6 (0.42) CTSCBCL6PRMT5JAK2JAK1

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
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
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US 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
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 1827/4885BCL6 392/4885FCGR3B 2871/4885

“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.