SCHEMBL3701288

SCHEMBL3701288

OCc1c[nH]c(-c2cccc(F)c2F)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.43
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
LRRK2 Q5S007 2/20 0.37
DHODH Q02127 2/20 0.37
GRIN2B Q13224 2/20 0.37
PIM1 P11309 3/20 0.36
PIM3 Q86V86 3/20 0.36
PIM2 Q9P1W9 2/20 0.36
GRM5 P41594 2/20 0.36
CNR2 P34972 1/20 0.35
SLC9A1 P19634 1/20 0.35
WDR5 P61964 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL3698954 0.87 DCUN1D1 (0.44) DHODHPIM1PIM3SLC9A1
SCHEMBL20162805 0.76 DHODH (0.38) LRRK2DHODHPIM1PIM3GRM5
SCHEMBL30037257 0.76 DHODH (0.38) LRRK2DHODHPIM1PIM3GRM5
SCHEMBL5895037 0.74 NPC1 (0.44)
SCHEMBL13748937 0.72 DCUN1D1 (0.45) SLC9A1
SCHEMBL2560940 0.72 CCNE2 (0.41) GRK6CCNE2CCNE1CDK2LRRK2
SCHEMBL1436748 0.72 GRK6 (0.43) GRK6CCNE2CCNE1CDK2DHODH
SCHEMBL26500690 0.71 SMN1; SMN2 (0.39)
SCHEMBL672597 0.71 NOTUM (0.42)
SCHEMBL28128068 0.70 DCUN1D1 (0.42) LRRK2PIM1PIM3SLC9A1

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 GRK6 2689/4885CCNE2 2516/4885CCNE1 2895/4885

“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.