SCHEMBL613379

SCHEMBL613379

OCc1ccc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.47
TTK P33981 7/20 0.45
JAK2 O60674 3/20 0.43
TYR P14679 1/20 0.40
SRC P12931 6/20 0.40
ABL1 P00519 3/20 0.40
YES1 P07947 2/20 0.40
KDR P35968 2/20 0.40
JAK3 P52333 2/20 0.36
PTK2 Q05397 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CIT O14578 1/20 0.36
GAK O14976 1/20 0.36
EPHB6 O15197 1/20 0.36
RIPK2 O43353 1/20 0.36
PRKD3 O94806 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL41008 0.92 LRRK2 (0.44) LRRK2TTKJAK2SRCABL1
SCHEMBL613388 0.89 LRRK2 (0.47) LRRK2TTKJAK2SRCABL1
SCHEMBL41398 0.88 LRRK2 (0.41) LRRK2TTKJAK2SRCPIK3CD
SCHEMBL41596 0.88 LRRK2 (0.43) LRRK2TTKJAK2SRCABL1
SCHEMBL42778 0.86 LRRK2 (0.41) LRRK2TTKJAK2SRCABL1
SCHEMBL612376 0.86 SRC (0.46) LRRK2TTKJAK2SRCABL1
SCHEMBL41292 0.86 LRRK2 (0.49) LRRK2TTKJAK2SRCABL1
SCHEMBL41597 0.85 LRRK2 (0.47) LRRK2TTKJAK2SRCABL1
SCHEMBL41063 0.85 JAK2 (0.44) LRRK2TTKJAK2SRCABL1
SCHEMBL615192 0.84 LRRK2 (0.48) LRRK2TTKJAK2SRCABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041195-A1 Heterocyclic compounds FOVEA PHARMACEUTICALS 2012-02-16 US claimed
US-20120041195-A1 Heterocyclic compounds FOVEA PHARMACEUTICALS 2012-02-16 US 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-20120041195-A1 Heterocyclic compounds MAP3K1, MAP3K5, MAP3K2 LRRK2 391/4885TTK 277/4885JAK2 325/4885

“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.