Sugi Predict

Sugi Predict / Compounds / SCHEMBL1075650

SCHEMBL1075650

SCHEMBL1075650

N#Cc1cccc(NC(=O)N2CC[C@@H](CC(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.41
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ USP30 Q70CQ3 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL1076641 1.00 ALK (0.41) ALKKMT2ATSHRJAK2JAK1
SCHEMBL1073561 0.96 ALK (0.42) ALKKMT2ATSHRJAK2JAK1
Trifluoroacetic Acid SCHEMBL4369701 0.96 ALK (0.38) ALKKMT2ATSHRJAK2JAK1
Trifluoroacetic Acid SCHEMBL4363088 0.96 ALK (0.38) ALKKMT2ATSHRJAK2JAK1
SCHEMBL1075502 0.93 ALK (0.39) ALKKMT2AJAK2JAK1TYK2
SCHEMBL1073850 0.93 ALK (0.39) ALKKMT2AJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4354516 0.92 ALK (0.39) ALKKMT2ATSHRJAK2JAK1
SCHEMBL1075960 0.91 ALK (0.42) ALKJAK2JAK1TYK2JAK3
SCHEMBL1073677 0.91 ALK (0.42) ALKJAK2JAK1TYK2JAK3
SCHEMBL1076311 0.91 ALK (0.42) ALKJAK2JAK1TYK2JAK3

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 7 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 claimed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 — — EP claimed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 — — US claimed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 — — WO claimed
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
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 ALK 3/4885KMT2A 382/4885TSHR 1918/4885

“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.