SCHEMBL14320437

SCHEMBL14320437

Nc1cccc(/N=C/C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ PBRM1 Q86U86 1/20 0.43
▸ CPN1 P15169 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ DDX3X O00571 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ MAOA P21397 2/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ MAOB P27338 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
SCHEMBL13723903 1.00 NPSR1 (0.47) NPSR1NOS1PBRM1CPN1CPB2
SCHEMBL11862175 0.86 TP53 (0.40) NPSR1NOS1CPN1CPB2ALDH1A1
SCHEMBL14320269 0.85 NOS1 (0.52) NPSR1NOS1PBRM1CPN1CPB2
SCHEMBL13724064 0.85 NOS1 (0.52) NPSR1NOS1PBRM1CPN1CPB2
SCHEMBL19526913 0.84 NOS1 (0.55) NPSR1NOS1PBRM1CPN1CPB2
SCHEMBL14321296 0.81 NOS1 (0.47) NPSR1NOS1PBRM1CPN1CPB2
SCHEMBL14321297 0.81 NOS1 (0.47) NPSR1NOS1PBRM1CPN1CPB2
SCHEMBL14320290 0.80 NOS1 (0.46) NPSR1NOS1PBRM1CPN1CPB2
SCHEMBL13724211 0.80 NOS1 (0.46) NPSR1NOS1PBRM1CPN1CPB2
SCHEMBL8036958 0.78 CA1 (0.44) NPSR1ALDH1A1CA1CA2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 — — US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 — — EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 — — EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NPSR1 3382/4885NOS1 1289/4885PBRM1 4554/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NPSR1 4201/4885NOS1 2068/4885PBRM1 4347/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NPSR1 3382/4885NOS1 1289/4885PBRM1 4554/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK NPSR1 3382/4885NOS1 1289/4885PBRM1 4554/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 NPSR1 4010/4885NOS1 1989/4885PBRM1 3429/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NPSR1 3331/4885NOS1 1266/4885PBRM1 4443/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NPSR1 3331/4885NOS1 1266/4885PBRM1 4443/4885

“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.

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