SCHEMBL2894541

SCHEMBL2894541

Cc1sc(Br)nc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
IKBKB O14920 4/20 0.32
LIMK1 P53667 2/20 0.32
CHUK O15111 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
BTK Q06187 1/20 0.31
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
F2 P00734 1/20 0.30
PLA2G10 O15496 1/20 0.30
TNIK Q9UKE5 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
PKM P14618 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL2305832 0.80 PPARD (0.35) PDPK1LMNAIKBKBLIMK1CHUK
SCHEMBL560676 0.80 PTGER1 (0.38) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL12791571 0.80 HRH3 (0.38) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL27558227 0.78 NOS1 (0.48) PDPK1MAPTIKBKBLIMK1CHUK
Hydrochloric Acid SCHEMBL5013627 0.78 PPARD (0.34) PDPK1LMNAIKBKBLIMK1CHUK
SCHEMBL2745274 0.78 IKBKB (0.35) PDPK1LMNAIKBKBLIMK1CHUK
SCHEMBL26684837 0.77 PDPK1 (0.35) PDPK1MAPTF2
SCHEMBL10431346 0.77 F2 (0.33) PDPK1MAPTIKBKBLIMK1CHUK
SCHEMBL1199384 0.75 NPSR1 (0.52) MAPTLMNAKDM4ENPC1RAB9A
SCHEMBL28137828 0.74 LMNA (0.41) PDPK1MAPTLMNAIKBKBLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
CN-101573033-A Heterocyclyl-substituted anti-hypercholesterolemic compounds MERCK & CO INC (US) 2009-11-04 CN disclosed
EP-2086324-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS Merck & Co., Inc. (US) 2009-08-12 EP disclosed
WO-2008057336-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-15 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-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS LDLR, PCSK9, CYP46A1 PDPK1 3018/4885MAPT 3713/4885LMNA 590/4885

“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.