SCHEMBL16611101

SCHEMBL16611101

CNC(=O)c1ccc(-c2nn(-c3c(F)cccc3C#N)c3cc[nH]c(=O)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
MAP4K1 Q92918 1/20 0.35
HDAC1 Q13547 1/20 0.33
PTGER1 P34995 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.33
RORC P51449 1/20 0.33
PRF1 P14222 1/20 0.33
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32
BRAF P15056 1/20 0.32
AR P10275 1/20 0.32
GRM5 P41594 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
TAF1 P21675 1/20 0.32

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 0.91 MAP4K1 (0.39) JAK2JAK1MAP4K1PTGER1MEN1
SCHEMBL16610947 0.82 MAP4K4 (0.38) JAK2JAK1PTGER1MEN1ALDH1A1
SCHEMBL16611377 0.81 ALDH1A1 (0.35) JAK2JAK1MAP4K1PTGER1TRPV1
SCHEMBL16611853 0.80 MAPK1 (0.42) JAK2JAK1PTGER1MEN1ALDH1A1
SCHEMBL16611655 0.79 ROCK2 (0.34) JAK2JAK1PIK3CD
SCHEMBL16610708 0.79 RORC (0.36) JAK2JAK1MEN1ALDH1A1KMT2A
SCHEMBL16610796 0.79 MAPK14 (0.36) JAK2JAK1MAP4K1MEN1ALDH1A1
SCHEMBL16623593 0.79 RORC (0.45) JAK2JAK1PTGER1RORC
SCHEMBL16611115 0.79 CCNA2 (0.41) JAK2JAK1ALDH1A1
SCHEMBL16611344 0.78 NPSR1 (0.44) PTGER1MEN1ALDH1A1KMT2APRF1

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-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
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
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 JAK2 1/4885JAK1 2/4885MAP4K1 305/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK1 2/4885MAP4K1 305/4885

“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.