SCHEMBL864337

SCHEMBL864337

O=C1c2ccccc2C(=O)N1Cc1ccccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.43
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RECQL P46063 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRM5 P41594 1/20 0.38
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
SCHEMBL5697024 0.71 MAPT (0.54) CASP3CA12CA9MAPTKMT2A
SCHEMBL864950 0.71 KIF11 (0.46)
SCHEMBL864206 0.71 APOBEC3G (0.55) TSHR
SCHEMBL7987177 0.67 CASP3 (0.49) CASP3CA12CA9KMT2AALDH1A1
SCHEMBL10304923 0.67 PTGS1 (0.65) CASP3CA12CA9MAPTKMT2A
SCHEMBL6095022 0.67 TYR (0.64) CASP3CA12CA9KMT2AALDH1A1
SCHEMBL10339317 0.67 TYR (0.64) CASP3CA12CA9MAPTKMT2A
SCHEMBL7518302 0.67 CASP3 (0.49) CASP3CA12CA9KMT2AALDH1A1
SCHEMBL17866115 0.67 CASP3 (0.53) CASP3CA12CA9MAPTKMT2A
SCHEMBL15624560 0.67 MPO (0.50) CASP3CA12CA9MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398777-B1 PYRIMIDOPYRIDAZINE DERIVATIVES USEFUL AS P38 MAPK INHIBITORS CHIESI FARMA SPA (IT) 2013-08-14 EP disclosed
EP-2398777-B1 PYRIMIDOPYRIDAZINE DERIVATIVES USEFUL AS P38 MAPK INHIBITORS CHIESI FARMA SPA (IT) 2013-08-14 EP disclosed
US-8450314-B2 Pyrimidopyridazine derivatives useful as P38 MAPK inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-28 US disclosed
US-8450314-B2 Pyrimidopyridazine derivatives useful as P38 MAPK inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-28 US disclosed
US-8450314-B2 Pyrimidopyridazine derivatives useful as P38 MAPK inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-28 US disclosed
US-20120077809-A1 PYRIMIDOPYRIDAZINE DERIVATIVES USEFUL AS P38 MAPK INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2012-03-29 US disclosed
US-20120077809-A1 PYRIMIDOPYRIDAZINE DERIVATIVES USEFUL AS P38 MAPK INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2012-03-29 US disclosed
EP-2398777-A1 PYRIMIDOPYRIDAZINE DERIVATIVES USEFUL AS P38 MAPK INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2011-12-28 EP disclosed
WO-2010094955-A1 PYRIMIDOPYRIDAZINE DERIVATIVES USEFUL AS P38 MAPK INHIBITORS PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2010-08-26 WO disclosed
WO-2010094955-A1 PYRIMIDOPYRIDAZINE DERIVATIVES USEFUL AS P38 MAPK INHIBITORS PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2010-08-26 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-20120077809-A1 PYRIMIDOPYRIDAZINE DERIVATIVES USEFUL AS P38 MAPK INHIBITORS MAPK1, MAPK4, MAPK7 CASP3 1916/4885CA12 4874/4885CA9 4804/4885

“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.