SCHEMBL4514883

SCHEMBL4514883

OCc1c(-c2cccc(F)c2)ccnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.45
NUDT1 P36639 1/20 0.41
TOP2A P11388 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KMO O15229 1/20 0.40
GCGR P47871 1/20 0.38
MTOR P42345 1/20 0.37

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
SCHEMBL4517460 0.83 VSIR (0.45) FYNNUDT1TOP2ACDC7ROCK2
SCHEMBL4523437 0.83 RPS6KA3 (0.41) GCGR
SCHEMBL2511037 0.82 FYN (0.39) FYNNUDT1MAP4K4PRKACACDK2
SCHEMBL4516325 0.81 VSIR (0.40) FYNNUDT1TOP2ACDC7ROCK2
SCHEMBL4523605 0.78 KMO (0.51) FYNTOP2ACDC7ROCK2MAP4K4
SCHEMBL4520735 0.76 NOTUM (0.41) FYNNUDT1CYP3A4CDK2KMO
SCHEMBL4517455 0.75 STK4 (0.40) FYNTOP2ACYP17A1CYP3A4CYP11B1
SCHEMBL21870524 0.75 NFE2L2 (0.42) FYNTOP2ACYP17A1CYP3A4CYP11B1
SCHEMBL28357121 0.74 MAP4K4 (0.53) CYP17A1CYP3A4CYP11B1CYP11B2CDC7
SCHEMBL1770160 0.73 CSNK1D (0.43) FYNCYP17A1CYP3A4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3674308-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2021-11-03 EP disclosed
US-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP 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-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 FYN 2015/4885NUDT1 1795/4885TOP2A 4598/4885

“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.