SCHEMBL42118

SCHEMBL42118

O=C(Cn1cc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cn1)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.42
ABL1 P00519 2/20 0.42
YES1 P07947 1/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
JAK1 P23458 16/20 0.39
JAK2 O60674 15/20 0.39
TTK P33981 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
SCHEMBL41148 0.81 JAK2 (0.41) SRCJAK1JAK2TTK
SCHEMBL41177 0.79 LRRK2 (0.46) SRCABL1PDGFRBJAK1JAK2
SCHEMBL611762 0.75 SRC (0.53) SRCABL1YES1PDGFRBKDR
SCHEMBL41482 0.74 LRRK2 (0.46) SRCPDGFRBJAK2TTK
SCHEMBL614249 0.74 JAK3 (0.46) SRCABL1JAK1JAK2TTK
SCHEMBL614439 0.73 TTK (0.42) SRCABL1YES1PDGFRBKDR
SCHEMBL41292 0.73 LRRK2 (0.49) SRCABL1PDGFRBJAK2TTK
SCHEMBL41122 0.73 SRC (0.53) SRCPDGFRBJAK2TTK
SCHEMBL41008 0.73 LRRK2 (0.44) SRCABL1YES1PDGFRBKDR
SCHEMBL613379 0.73 LRRK2 (0.47) SRCABL1YES1PDGFRBKDR

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 3 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

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 401/4885ABL1 181/4885YES1 1086/4885

“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.