SCHEMBL42448

SCHEMBL42448

Cc1cc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cc(N2CCN(CCO)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.48
JAK2 O60674 5/20 0.45
JAK3 P52333 4/20 0.45
PTK2 Q05397 4/20 0.45
LRRK2 Q5S007 2/20 0.40
ABL1 P00519 4/20 0.38
YES1 P07947 3/20 0.38
KDR P35968 3/20 0.38
PDGFRB P09619 3/20 0.38
EPHB4 P54760 2/20 0.38
CIT O14578 1/20 0.38
GAK O14976 1/20 0.38
EPHB6 O15197 1/20 0.38
RIPK2 O43353 1/20 0.38
PRKD3 O94806 1/20 0.38
LCK P06239 1/20 0.38
RET P07949 1/20 0.38
BCR P11274 1/20 0.38
BRAF P15056 1/20 0.38
EPHA2 P29317 1/20 0.38

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
SCHEMBL41600 0.91 SRC (0.44) SRCJAK2JAK3PTK2LRRK2
SCHEMBL46418 0.84 GAK (0.47) SRCJAK2JAK3PTK2LRRK2
SCHEMBL41603 0.84 SRC (0.63) SRCJAK2JAK3PTK2ABL1
SCHEMBL41010 0.84 SRC (0.49) SRCJAK2JAK3PTK2LRRK2
SCHEMBL41486 0.83 SRC (0.65) SRCJAK2JAK3ABL1YES1
SCHEMBL41155 0.82 SRC (0.52) SRCJAK2ABL1YES1KDR
SCHEMBL14936723 0.77 SRC (0.39) SRC
SCHEMBL41008 0.77 LRRK2 (0.44) SRCJAK2LRRK2ABL1YES1
SCHEMBL41148 0.77 JAK2 (0.41) SRCJAK2JAK3PTK2LRRK2
SCHEMBL41177 0.76 LRRK2 (0.46) SRCJAK2JAK3PTK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US claimed
EP-2585439-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Fovea Pharmaceuticals (FR) 2013-05-01 EP claimed
WO-2011161159-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2011-12-29 WO claimed
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US disclosed
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US disclosed
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US disclosed
EP-2585439-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Fovea Pharmaceuticals (FR) 2013-05-01 EP disclosed
WO-2011161159-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2011-12-29 WO disclosed
WO-2011161159-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2011-12-29 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-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION CAMK2D, CAMK2A, CAMK2B SRC 401/4885JAK2 283/4885JAK3 824/4885

“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.