SCHEMBL16623547

SCHEMBL16623547

N=C(c1ccc(OCC(N)=O)cc1)c1c(Nc2c(F)cccc2F)c(Cl)c[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
PRF1 P14222 1/20 0.35
CMA1 P23946 1/20 0.33
MAOB P27338 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33
WEE1 P30291 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL17849206 0.87 ALDH1A1 (0.40) KDM4EALDH1A1TDP1
SCHEMBL16623588 0.86 SYK (0.34) SYK
SCHEMBL16726665 0.85 ALDH2 (0.33)
SCHEMBL17849205 0.80 DGAT1 (0.32) ALDH1A1
SCHEMBL17849236 0.80 RORC (0.36)
SCHEMBL16726696 0.80 HDAC6 (0.41) KDM4EALDH1A1HPGDPOLB
SCHEMBL17849220 0.79 MT-CO2 (0.35) KDM4E
SCHEMBL17849237 0.78 RORC (0.33) ALDH1A1
SCHEMBL16623450 0.78 NPC1 (0.32) NPC1MAPT
SCHEMBL16726674 0.78 PRKAB2 (0.35) SYKPRKAB2PRKAG1PRKAA2PRKAA1

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 5 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
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 (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 SYK 208/4885PRKAB2 2086/4885PRKAG1 1489/4885

“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.