SCHEMBL16610947

SCHEMBL16610947

CNC(=O)c1cc(F)cc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.38
CDK8 P49336 1/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 1/20 0.35
TAF1 P21675 1/20 0.34
PTGER1 P34995 1/20 0.34
KAT6A Q92794 2/20 0.33
KAT7 O95251 1/20 0.33
DRD2 P14416 1/20 0.33
METAP2 P50579 1/20 0.33
KAT6B Q8WYB5 1/20 0.33
KAT5 Q92993 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
ALDH2 P05091 1/20 0.31
JAK3 P52333 1/20 0.31
PARP1 P09874 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL16611425 0.90 MAP4K1 (0.39) CDK8JAK2JAK1TAF1PTGER1
SCHEMBL16611791 0.87 BRD4 (0.36) CDK8JAK2PTGER1JAK3PARP1
SCHEMBL16610796 0.85 MAPK14 (0.36) CDK8JAK2JAK1TAF1ALDH1A1
SCHEMBL16610708 0.85 RORC (0.36) CDK8JAK2JAK1TAF1ALDH1A1
SCHEMBL16611106 0.83 RORC (0.39) JAK2JAK1TAF1
SCHEMBL16611878 0.82 MAP4K4 (0.36) MAP4K4JAK2KAT6AKAT7DRD2
SCHEMBL16611101 0.82 JAK2 (0.40) JAK2JAK1TAF1PTGER1ALDH1A1
SCHEMBL16611643 0.80 DHODH (0.35) CDK8JAK2JAK1PTGER1
SCHEMBL16611853 0.80 MAPK1 (0.42) CDK8JAK2JAK1PTGER1ALDH1A1
SCHEMBL16611283 0.80 PTGER1 (0.40) CDK8PTGER1PARP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 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
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAP4K4 361/4885CDK8 320/4885JAK2 1/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAP4K4 361/4885CDK8 320/4885JAK2 1/4885

“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.