SCHEMBL16623585

SCHEMBL16623585

N=C(c1cccc(CC(N)=O)c1)c1c(NC2CCCC2)cc[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
EPHX1 P07099 2/20 0.34
PRSS1 P07477 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
BRD4 O60885 1/20 0.33
JAK1 P23458 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
PARP1 P09874 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
SCHEMBL16623500 0.88 F2 (0.37) MAPTBRD4JAK1ALOX15F2
SCHEMBL16623454 0.87 FAAH (0.40) EPHX2JAK1
SCHEMBL16726666 0.84 BRD4 (0.33) LMNABRD4JAK1ALOX15PARP1
SCHEMBL16623460 0.82 JAK1 (0.36) LMNABRD4JAK1
SCHEMBL16623447 0.81 GRM5 (0.42) EPHX2ALDH1A1JAK1
SCHEMBL16623455 0.81 JAK1 (0.33) MAPTLMNABRD4JAK1
SCHEMBL16623521 0.81 JAK1 (0.39) MAPTLMNAJAK1PARP1
SCHEMBL16623524 0.80 JAK1 (0.37) BRD4JAK1ALOX15
SCHEMBL17849229 0.79 F10 (0.35) PRSS1F2F10
SCHEMBL18052589 0.79 NPC1 (0.43) PRSS1LMNAALDH1A1

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 EPHX2 4707/4885EPHX1 4785/4885PRSS1 784/4885

“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.