SCHEMBL84781

SCHEMBL84781

Cc1cnn2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.60
AXL P30530 1/20 0.60
CDK2 P24941 1/20 0.55
BMP4 P12644 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIK3CG P48736 1/20 0.43
IRAK4 Q9NWZ3 5/20 0.42
JAK1 P23458 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
PDE10A Q9Y233 1/20 0.41
HTT P42858 1/20 0.40
STING1 Q86WV6 1/20 0.40
HSD11B1 P28845 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
SCHEMBL5791049 0.75 SMPD3 (1.00) SMPD3AXLCDK2BMP4IRAK4
SCHEMBL15336871 0.75 SMPD3 (0.60) SMPD3AXLCDK2BMP4LMNA
SCHEMBL1693808 0.75 AXL (1.00) SMPD3AXLCDK2BMP4NPC1
SCHEMBL28947639 0.75 SMPD3 (0.66) SMPD3AXLCDK2BMP4ALDH1A1
SCHEMBL24198248 0.75 SMPD3 (0.59) SMPD3AXLCDK2BMP4ALDH1A1
SCHEMBL13367731 0.75 SMPD3 (0.55) SMPD3AXLCDK2BMP4ALDH1A1
SCHEMBL805457 0.75 SMPD3 (0.55) SMPD3AXLCDK2BMP4ALDH1A1
SCHEMBL31259841 0.75 SMPD3 (1.00) SMPD3AXLCDK2BMP4ALDH1A1
SCHEMBL4546565 0.75 SMPD3 (0.55) SMPD3AXLCDK2BMP4ALDH1A1
SCHEMBL803428 0.75 SMPD3 (0.55) SMPD3AXLCDK2BMP4ALDH1A1

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 169 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097355-A1 DEUBIQUITINASE-TARGETING CHIMERAS AND RELATED METHODS VICINITAS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
WO-2023245123-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-21 WO disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
WO-2023217879-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 US disclosed
WO-2023159307-A1 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF REPARE THERAPEUTICS INC. (CA) 2023-08-31 WO disclosed
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
WO-2023141323-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-07-27 WO disclosed
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed
WO-2008116139-A2 N-HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 WO disclosed
US-7393873-B2 Arylsulfonamide derivatives MERCK & CO., INC. (US) 2008-07-01 US disclosed
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed
WO-2007107312-A2 REDUCTIVE COLOUR REMOVAL HENKEL AG & CO. KGAA (DE) 2007-09-27 WO disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP SMPD3 73/4885AXL 4168/4885CDK2 1988/4885
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 SMPD3 4628/4885AXL 700/4885CDK2 3/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 SMPD3 4018/4885AXL 374/4885CDK2 3/4885
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 SMPD3 276/4885AXL 4322/4885CDK2 3976/4885
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 SMPD3 61/4885AXL 1179/4885CDK2 3428/4885

“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.