SCHEMBL1259693

SCHEMBL1259693

O=C(Nc1cn2cc(O)ccc2n1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.56
ABL1 P00519 5/20 0.51
MAP4K1 Q92918 6/20 0.50
HPGD P15428 1/20 0.49
KDR P35968 2/20 0.45
AURKA O14965 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
FLT1 P17948 1/20 0.45

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
SCHEMBL24305376 0.84 LRRK2 (0.55) LRRK2ABL1MAP4K1HPGDKDR
SCHEMBL17065938 0.84 MAP3K5 (0.56) LRRK2ABL1MAP4K1HPGDKDR
SCHEMBL17066009 0.82 LRRK2 (0.53) LRRK2ABL1MAP4K1HPGDKDR
SCHEMBL1258121 0.77 KDR (0.55) LRRK2ABL1MAP4K1KDRAURKA
SCHEMBL24296473 0.77 LRRK2 (0.56) LRRK2ABL1MAP4K1HPGDKDR
SCHEMBL17066045 0.76 LRRK2 (0.53) LRRK2ABL1MAP4K1
SCHEMBL22380353 0.76 LRRK2 (0.55) LRRK2ABL1MAP4K1
SCHEMBL22380367 0.76 LRRK2 (0.77) LRRK2ABL1MAP4K1
SCHEMBL13756343 0.75 KDR (0.57) LRRK2HPGDKDR
SCHEMBL1259516 0.75 JAK1 (0.53) LRRK2ABL1MAP4K1HPGDKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 WO disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 LRRK2 482/4885ABL1 1/4885MAP4K1 6/4885

“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.