SCHEMBL21061909

SCHEMBL21061909

O=C(O)c1cnc2cc(Br)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.45
HCAR2 Q8TDS4 4/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HKDC1 Q2TB90 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL21062102 0.85 HPGDS (0.40) KDM4ENPC1RAB9ATDP1SMN1; SMN2
SCHEMBL21061852 0.81 PIK3CA (0.44) KDM4ENPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL21096529 0.72 HPGDS (0.42) NPC1RAB9ALMNAHDAC6ALDH1A1
SCHEMBL20783920 0.71 PLAU (0.33) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30895185 0.70 NPC1 (0.57) MGAMKDM4ENPC1RAB9ATDP1
SCHEMBL843647 0.70 NPC1 (0.57) MGAMKDM4ENPC1RAB9ATDP1
SCHEMBL31276895 0.67 KMT2A (0.52) MGAMHCAR2POLBKDM4ELMNA
SCHEMBL7599288 0.67 KMT2A (0.52) MGAMHCAR2POLBKDM4ELMNA
SCHEMBL186549 0.67 KMT2A (0.52) MGAMHCAR2POLBKDM4ELMNA
SCHEMBL4904323 0.67 AKR1C3 (0.36) KDM4EALDH1A1HPGDGABRPGABRD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139507-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
US-20210139507-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
EP-3724197-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2020-10-21 EP disclosed
CN-111479814-A Fused pyridines as H-PGDS inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-07-31 CN disclosed
WO-2019116256-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-20 WO disclosed
WO-2019116256-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-20 WO 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-20210139507-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H PGDS HPGDS, HPGD, PTGS1 MGAM 3915/4885HCAR2 636/4885POLB 1662/4885

“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.