SCHEMBL46422

SCHEMBL46422

Cc1cc(Nc2ncc3cc(-c4cc(OC(=O)c5ccccc5)ccc4Cl)ccc3n2)cc(N2CCN(CCO)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.49
RIPK2 O43353 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
YES1 P07947 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
BCR P11274 1/20 0.49
EPHA2 P29317 1/20 0.49
EPHB2 P29323 1/20 0.49
TGFBR2 P37173 1/20 0.49
ABL2 P42684 1/20 0.49
EPHB4 P54760 1/20 0.49
EPHA4 P54764 1/20 0.49
DDR1 Q08345 1/20 0.49
ACVR2B Q13705 1/20 0.49
SRC P12931 5/20 0.45
FGFR2 P21802 2/20 0.40
ALK Q9UM73 3/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL46418 0.85 GAK (0.47) GAKRIPK2ABL1LCKYES1
SCHEMBL41155 0.84 SRC (0.52) GAKRIPK2ABL1LCKYES1
SCHEMBL40943 0.76 SRC (0.49) GAKRIPK2ABL1LCKYES1
SCHEMBL42448 0.68 SRC (0.48) GAKRIPK2ABL1LCKYES1
Tg100-801 SCHEMBL29941250 0.66 YES1 (1.00) GAKRIPK2ABL1LCKYES1
Tg100-801 SCHEMBL12198196 0.66 YES1 (1.00) GAKRIPK2ABL1LCKYES1
Tg100-801 SCHEMBL29363355 0.65 YES1 (0.99) GAKRIPK2ABL1LCKYES1
SCHEMBL229860 0.65 BRAF (0.68) GAKRIPK2ABL1LCKYES1
SCHEMBL226245 0.65 SRC (0.67) GAKRIPK2ABL1LCKYES1
SCHEMBL14936291 0.65 SRC (0.43) ABL1LCKPDGFRBSRCKDR

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 disclosed
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US 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 GAK 224/4885RIPK2 276/4885ABL1 181/4885

“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.