SCHEMBL805457

SCHEMBL805457

CCc1cnn2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.55
AXL P30530 1/20 0.55
CDK2 P24941 1/20 0.50
IRAK4 Q9NWZ3 3/20 0.48
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
CSF1R P07333 1/20 0.44
KDM4E B2RXH2 4/20 0.43
PKM P14618 1/20 0.43
BMP4 P12644 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE2A O00408 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1243349 0.82 SMPD3 (0.51) SMPD3AXLCDK2IRAK4HSD17B10
SCHEMBL30579408 0.81 SMPD3 (0.55) SMPD3AXLCDK2IRAK4HSD17B10
SCHEMBL22792158 0.81 SMPD3 (0.55) SMPD3AXLCDK2IRAK4HSD17B10
SCHEMBL22792265 0.81 SMPD3 (0.50) SMPD3AXLCDK2IRAK4HSD17B10
SCHEMBL30579401 0.78 SMPD3 (0.47) SMPD3AXLCDK2IRAK4HSD17B10
SCHEMBL29518379 0.78 SMPD3 (0.51) SMPD3AXLCDK2IRAK4HSD17B10
SCHEMBL9911040 0.76 KDM4E (0.41) SMPD3AXLCDK2IRAK4HSD17B10
SCHEMBL19997258 0.75 HSD17B10 (0.57) IRAK4HSD17B10ALDH1A1LMNAHPGD
SCHEMBL84781 0.75 SMPD3 (0.60) SMPD3AXLCDK2IRAK4HSD17B10
SCHEMBL30837650 0.74 NPSR1 (0.45) SMPD3AXLIRAK4LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230032612-A1 QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-02-02 US disclosed
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2023-01-26 US disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
WO-2021213317-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 微境生物医药科技(上海)有限公司 (CN) 2021-10-28 WO disclosed
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20160207940-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2016-07-21 US disclosed
WO-2016029776-A1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2016-03-03 WO disclosed
US-8940742-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2013-10-10 US disclosed
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-27 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20110245258-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2011-10-06 US disclosed
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ARTESIAN THERAPEUTICS, INC. (CA) 2008-10-23 US 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 (13 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-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists NR3C1, NR3C2, MC2R SMPD3 3908/4885AXL 3356/4885CDK2 872/4885
US-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 SMPD3 1495/4885AXL 3932/4885CDK2 1089/4885
US-20230032612-A1 QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SMPD3 3908/4885AXL 3356/4885CDK2 872/4885
US-20110245258-A1 NOVEL ANTIMICROBIALS ECI1, XDH, CYP3A4 SMPD3 3455/4885AXL 1084/4885CDK2 1665/4885
US-20160207940-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885AXL 1068/4885CDK2 100/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP SMPD3 99/4885AXL 3955/4885CDK2 1989/4885
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 SMPD3 331/4885AXL 2740/4885CDK2 797/4885
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ADRB2, ADRB3, ADRB1 SMPD3 227/4885AXL 3847/4885CDK2 754/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH SMPD3 1055/4885AXL 2953/4885CDK2 2685/4885
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885AXL 1068/4885CDK2 100/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 SMPD3 2706/4885AXL 4469/4885CDK2 346/4885
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DPYD, TYMP, TYMS SMPD3 3150/4885AXL 1324/4885CDK2 102/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SMPD3 2062/4885AXL 2812/4885CDK2 1098/4885

“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.