SCHEMBL2841019

SCHEMBL2841019

O=Cc1cc(Nc2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.60
HPGD P15428 3/20 0.60
MAPK1 P28482 2/20 0.60
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 3/20 0.50
GFER P55789 1/20 0.50
RECQL P46063 1/20 0.50
TSHR P16473 1/20 0.43
KCNJ6 P48051 1/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ALPG P10696 1/20 0.42
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
MAPK14 Q16539 3/20 0.41

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
SCHEMBL2841874 0.88 GAA (0.49) GAAHPGDMAPK1LMNASMN1; SMN2
SCHEMBL2835908 0.77 GAA (0.67) GAALMNAMEN1KMT2A
SCHEMBL2834738 0.77 ALDH1A1 (0.59) LMNAALDH1A1TSHRNPSR1TDP1
SCHEMBL11535423 0.76 GAA (1.00) GAAHPGDMAPK1LMNASMN1; SMN2
SCHEMBL14108176 0.73 CYP1A2 (0.56) MAPK1LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL5106402 0.73 P2RX7 (0.43) GAAMAPK1LMNAALDH1A1HTT
SCHEMBL2517751 0.73 MAPK1 (0.51) MAPK1LMNAHTTTSHRNTRK1
SCHEMBL4245811 0.72 NPC1 (0.57) HPGDLMNAALDH1A1HTTMEN1
SCHEMBL2839406 0.72 GAA (0.60) GAAHPGDMAPK1LMNASMN1; SMN2
SCHEMBL18694618 0.72 NTRK1 (0.47) GAALMNASMN1; SMN2ALDH1A1HTT

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
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 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-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R GAA 1513/4885HPGD 138/4885MAPK1 2435/4885

“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.