SCHEMBL13948

SCHEMBL13948

N#Cc1cccc(NC(N)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 2/20 0.66
MEN1 O00255 2/20 0.66
IDO1 P14902 1/20 0.61
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.59
GRM4 Q14833 1/20 0.57
HSD17B10 Q99714 2/20 0.56
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP7 P55210 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
P2RX1 P51575 1/20 0.54

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
SCHEMBL30606801 0.85 MAPT (0.87) MAPTKMT2AALDH1A1MEN1IDO1
SCHEMBL29580531 0.85 MAPT (0.87) MAPTKMT2AALDH1A1MEN1IDO1
SCHEMBL4901069 0.84 MAPT (0.68) MAPTKMT2AALDH1A1MEN1IDO1
SCHEMBL6464794 0.84 MAPT (0.68) MAPTKMT2AALDH1A1MEN1IDO1
SCHEMBL7133734 0.84 MAPT (0.50) MAPTKMT2AALDH1A1MEN1IDO1
SCHEMBL6809487 0.83 GAA (0.62) MAPTALDH1A1HTTLMNAHSD17B10
SCHEMBL20530116 0.82 EGFR (0.61) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL1884990 0.82 IDO1 (0.71) MAPTKMT2AALDH1A1MEN1IDO1
SCHEMBL1185790 0.82 IDO1 (0.61) MAPTKMT2AALDH1A1MEN1IDO1
SCHEMBL171190 0.82 ALDH1A1 (0.66) MAPTKMT2AALDH1A1MEN1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111526877-B Compounds and compositions for IRE1 inhibition 奥普提卡拉公司 2023-08-25 CN claimed
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2023-06-22 US claimed
EP-4081299-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2022-11-02 EP claimed
WO-2021130255-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2021-07-01 WO claimed
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP claimed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO claimed
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
CN-1075717-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1993-09-01 CN claimed
CN-116942649-A Application of phenylurea compound as babesia growth inhibitor 华中农业大学 2023-10-27 CN disclosed
CN-116942649-A Application of phenylurea compound as babesia growth inhibitor 华中农业大学 2023-10-27 CN disclosed
CN-111526877-B Compounds and compositions for IRE1 inhibition 奥普提卡拉公司 2023-08-25 CN disclosed
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2023-06-22 US disclosed
CN-1838957-A Chemokine inhibiting piperazine derivatives and their use to treat myocarditis SCHERING AKTIEGESELLSCHAFT (DE) 2006-09-27 CN disclosed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO disclosed
US-6441001-B1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-27 US disclosed
CN-1093085-A Sulfonamide derivatives GLAXO GROUP LTD (GB) 1994-10-05 CN disclosed
CN-1075717-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1993-09-01 CN 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 (4 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 MAPT 4753/4885KMT2A 3645/4885ALDH1A1 462/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 MAPT 4754/4885KMT2A 3181/4885ALDH1A1 123/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 MAPT 4759/4885KMT2A 2853/4885ALDH1A1 170/4885
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES FCER2, FCGR2A, FCGR1A MAPT 4114/4885KMT2A 3223/4885ALDH1A1 1433/4885

“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.