SCHEMBL16623448

SCHEMBL16623448

Cc1ccccc1C(=N)c1c(Br)c[nH]c(=O)c1Nc1csc(C(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL16623469 0.92 ALDH1A1 (0.34) HPGDLMNAALDH1A1KMT2A
SCHEMBL16623537 0.87 MCL1 (0.32) MAPK14HPGDLMNAMAPK13MAPK12
SCHEMBL16623470 0.79 PDE4B (0.34) HPGDLMNAALDH1A1KMT2A
SCHEMBL16610931 0.60 SLC5A1 (0.33) HPGDLMNAALDH1A1KMT2AMAPT
SCHEMBL3364068 0.57 POLB (0.60) MAPK14HPGDLMNAMAPK13MAPK12
SCHEMBL1802211 0.55 HPGD (0.53) HPGD
SCHEMBL4441911 0.55 CYP3A4 (0.56) HPGDALDH1A1
SCHEMBL7577106 0.55 CXCR2 (0.52) HPGDALDH1A1KMT2AMAPT
SCHEMBL11542345 0.55 CXCR2 (0.53) MAPK14MAPK13MAPK12MAPK11ALDH1A1
Toluic Acid SCHEMBL7244386 0.54 ALDH1A1 (0.55) HPGDLMNAALDH1A1KMT2A

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 MAPK14 52/4885HPGD 1854/4885LMNA 1474/4885

“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.