SCHEMBL46324

SCHEMBL46324

Cc1cnc(N(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 4/20 0.33
HSD17B10 Q99714 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
CYP2D6 P10635 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
CYP2C19 P33261 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.31
EDNRA P25101 1/20 0.31
UHRF1 Q96T88 1/20 0.31
APP P05067 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL2629387 0.80 CYP3A4 (0.31) CYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL179289 0.77 AOC3 (0.35) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL2629283 0.73 HRH3 (0.44) CYP2D6CYP2C19KCNH2HRH1
SCHEMBL9924584 0.73 GBA1 (0.48) KMT2ACYP1A2ALDH1A1ALOX15MAPK1
SCHEMBL31520440 0.73 UHRF1 (0.41) MEN1KMT2ACYP1A2ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL27508580 0.73
SCHEMBL7993678 0.72 POLB (0.37) CYP2D6HRH1
SCHEMBL3958444 0.72 ALDH1A1 (0.34) MEN1KMT2ACYP3A4HSD17B10ALDH1A1
SCHEMBL6345318 0.72 MEN1 (0.35) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL11625025 0.72 NOS3 (0.41) CKS1BSKP1SKP2HSD17B10SMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4066834-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS Infinity Pharmaceuticals, Inc. (US) 2022-10-05 EP disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-11370776-B2 Sulfonylureas and sulfonylthioureas as NLRP3 inhibitors INFLAZOME LIMITED (IE) 2022-06-28 US disclosed
EP-3613743-B1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES INTELLIKINE LLC (US) 2022-03-16 EP disclosed
US-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 US disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
WO-2021113263-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-10 WO disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
US-20200361895-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2020-11-19 US disclosed
US-20200270227-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2020-08-27 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-7662823-B2 Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-16 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
EP-2041124-A1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS N.V. Organon (NL) 2009-04-01 EP disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
WO-2008003452-A1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS N.V. ORGANON (NL) 2008-01-10 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 (9 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-11370776-B2 Sulfonylureas and sulfonylthioureas as NLRP3 inhibitors NLRP3, NOD1, NLRP1 MEN1 2998/4885KMT2A 2914/4885CKS1B 2694/4885
US-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 MEN1 1717/4885KMT2A 4202/4885CKS1B 749/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MEN1 892/4885KMT2A 2988/4885CKS1B 453/4885
US-20200270227-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 MEN1 2998/4885KMT2A 2914/4885CKS1B 2694/4885
US-20200361895-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS NLRP3, NOD1, NLRP1 MEN1 3710/4885KMT2A 1733/4885CKS1B 1461/4885
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 MEN1 4854/4885KMT2A 3221/4885CKS1B 3053/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 MEN1 4854/4885KMT2A 3221/4885CKS1B 3053/4885
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC MEN1 708/4885KMT2A 3375/4885CKS1B 1870/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A MEN1 388/4885KMT2A 3867/4885CKS1B 382/4885

“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.