SCHEMBL3701558

SCHEMBL3701558

O=Cc1cc(Sc2ccc(Cl)nc2)n(-c2cccc(Cl)c2F)n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
IDO1 P14902 1/20 0.30
KAT2B Q92831 1/20 0.30
MDM2 Q00987 2/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL3701053 0.85 RIPK1 (0.32) RIPK1IDO1KAT2BMDM2NOTUM
SCHEMBL3702102 0.81 MDM2 (0.34) RIPK1MDM2NOTUM
SCHEMBL3699131 0.77 PDE4B (0.39) RIPK1NOTUM
SCHEMBL4123622 0.76 MDM2 (0.36) RIPK1MDM2NOTUM
SCHEMBL4123630 0.76 MDM2 (0.38) RIPK1MDM2NOTUM
SCHEMBL3705315 0.74 MAPK11 (0.36) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3697515 0.73 MAPT (0.36) MAPK11MAPK14
SCHEMBL3814318 0.73 MDM2 (0.33) RIPK1MDM2NOTUM
SCHEMBL3814316 0.73 MDM2 (0.33) RIPK1MDM2NOTUM
SCHEMBL3696764 0.73 RIPK1 (0.33) RIPK1

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-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 RIPK1 4203/4885HCAR1 798/4885MAPK13 1768/4885

“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.