SCHEMBL864206

SCHEMBL864206

OCc1ccccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.55
KIF11 P52732 5/20 0.40
LDHA P00338 1/20 0.38
SLC6A4 P31645 5/20 0.36
FFAR4 Q5NUL3 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SLC6A2 P23975 3/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL864950 0.81 KIF11 (0.46) KIF11SLC6A4SLC6A2
SCHEMBL9634657 0.80 APOBEC3G (0.59) APOBEC3GLDHASLC6A4FFAR4PDCD1
SCHEMBL6233930 0.80 KIF11 (0.40) APOBEC3GKIF11
SCHEMBL28802335 0.76 APOBEC3G (0.59) APOBEC3GSLC6A4FFAR4SLC6A2
SCHEMBL6238584 0.74 ALDH1A1 (0.44) APOBEC3GKIF11
SCHEMBL30821022 0.74 KIF11 (0.38) KIF11TSHR
SCHEMBL7557262 0.73 KIF11 (0.35) APOBEC3GKIF11
SCHEMBL7262305 0.72 APOBEC3G (1.00) APOBEC3GLDHASLC6A4PDCD1CD274
SCHEMBL4442278 0.72 APOBEC3G (0.73) APOBEC3GLDHASLC6A4SLC6A2
SCHEMBL864337 0.71 CASP3 (0.43) TSHR

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-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-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

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 APOBEC3G 3929/4885KIF11 1455/4885LDHA 3671/4885

“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.