SCHEMBL4332129

SCHEMBL4332129

O=C(O)Nc1ccnc(C#Cc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
EGFR P00533 8/20 0.39
PTPN11 Q06124 1/20 0.38
PDGFRB P09619 3/20 0.38
KDR P35968 3/20 0.38
PIN1 Q13526 1/20 0.38
BTK Q06187 4/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
CTSC P53634 1/20 0.36

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
SCHEMBL13623026 0.86 SYK (0.44) GRM5EGFRBTK
SCHEMBL1025446 0.83 BCL6 (0.38) GRM5EGFRPIN1BTKCTSC
SCHEMBL1082854 0.82 EGFR (0.38) EGFRPIN1BTKJAK2CTSC
SCHEMBL1024611 0.77 MEN1 (0.49) EGFRBTK
SCHEMBL4348221 0.77 ALDH1A1 (0.46) EGFRBTKJAK2TYK2CTSC
SCHEMBL1024609 0.77 MEN1 (0.49) EGFRBTK
SCHEMBL4335022 0.76 BTK (0.42) EGFRBTKCTSC
SCHEMBL1024930 0.76 FFAR1 (0.43) GRM5PTPN11PDGFRBKDRJAK2
SCHEMBL1026707 0.76 MEN1 (0.49) EGFR
SCHEMBL4716464 0.76 PTPN11 (0.52) GRM5PTPN11PDGFRBKDR

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 3 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
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 GRM5 2685/4885EGFR 180/4885PTPN11 145/4885

“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.