SCHEMBL16726679

SCHEMBL16726679

NC(=O)c1ccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.42
CDC7 O00311 2/20 0.39
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
MAPK13 O15264 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
ROS1 P08922 1/20 0.39
PHKG2 P15735 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 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
SCHEMBL16610975 0.91 MAP2K4 (0.44) MAP2K4MAPK8STK3LRRK2RORC
SCHEMBL16610777 0.90 RORC (0.39) MAP2K4CDC7PIM1PIM3PLK4
SCHEMBL16610697 0.87 RORC (0.38) MAP2K4ABL1KDRACVR1DYRK1B
SCHEMBL16611001 0.87 MAP4K1 (0.38) KDRRPS6KA3RORCNTRK1KCNJ5
SCHEMBL16611072 0.87 MAPK14 (0.39) MAP2K4CDC7PIM1PIM3PLK4
SCHEMBL16611258 0.87 KCNJ5 (0.35) PRKAA1RORCKCNJ5KCNJ3MAPK14
SCHEMBL16611366 0.86 RORC (0.34) RORCKCNJ5KCNJ3RAB9A
SCHEMBL16611354 0.85 PRKAB2 (0.38) PRKAA1RORCKCNJ5KCNJ3
SCHEMBL16610718 0.84 NPSR1 (0.42) RORCNTRK1KCNJ5KCNJ3
SCHEMBL16726684 0.84 KCNJ5 (0.34) KDRRORCKCNJ5KCNJ3

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-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAP2K4 931/4885CDC7 3444/4885PIM1 215/4885

“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.