SCHEMBL4290482

SCHEMBL4290482

O=C1COc2c(Cl)cc(Br)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 1/20 0.44
NR3C1 P04150 2/20 0.43
PGR P06401 2/20 0.43
NR3C2 P08235 2/20 0.43
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
MMP12 P39900 1/20 0.39
CMA1 P23946 1/20 0.39
AHR P35869 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
AR P10275 1/20 0.37
PARP1 P09874 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 2/20 0.34

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
SCHEMBL17875671 0.84 PDE3B (0.43) IL4I1NR3C1PGRNR3C2PDE3B
SCHEMBL20278370 0.83 PDE3B (0.55) IL4I1NR3C1PGRNR3C2PDE3B
SCHEMBL4288420 0.81 PDE3B (0.47) NR3C1PGRNR3C2PDE3BPDE3A
SCHEMBL4102483 0.81 NR3C2 (0.45) NR3C1PGRNR3C2PDE3BPDE3A
SCHEMBL29939223 0.81 NR3C2 (0.45) NR3C1PGRNR3C2PDE3BPDE3A
SCHEMBL27433477 0.81 PDE3B (0.44) IL4I1NR3C1PGRNR3C2PDE3B
SCHEMBL3600619 0.79 IL4I1 (0.44) IL4I1NR3C1PGRNR3C2PDE3B
SCHEMBL8236302 0.79 IL4I1 (0.44) IL4I1NR3C1PGRNR3C2PDE3B
SCHEMBL4480236 0.78 PDE3B (0.41) IL4I1NR3C1PGRNR3C2PDE3B
SCHEMBL21552045 0.78 PGR (0.42) IL4I1NR3C1PGRNR3C2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
EP-3752491-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2020-12-23 EP disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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 (5 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 IL4I1 1913/4885NR3C1 1501/4885PGR 964/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 IL4I1 1983/4885NR3C1 1686/4885PGR 1185/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 IL4I1 1983/4885NR3C1 1686/4885PGR 1185/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R IL4I1 3450/4885NR3C1 2/4885PGR 408/4885
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN IL4I1 1/4885NR3C1 415/4885PGR 3320/4885

“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.