SCHEMBL6023948

SCHEMBL6023948

Cc1c(C(=O)O)c[nH]c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.46
CSNK2A1 P68400 2/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
KDM4E B2RXH2 2/20 0.39
KDM3B Q7LBC6 1/20 0.39
PIM3 Q86V86 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
GRM1 Q13255 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL7116182 0.85 CCNC (0.47) NOTUMCSNK2A1CSNK2A2CSNK2BKDM4E
SCHEMBL16416410 0.82 CSNK2A1 (0.36) NOTUMCSNK2A1CSNK2A2CSNK2BKDM4E
SCHEMBL6022280 0.82 NR4A2 (0.45) GRM1
SCHEMBL6022276 0.82 NR4A2 (0.41) NOTUMTSHRGRM1
SCHEMBL10937546 0.79 AKR1C3 (0.48) KDM4ETSHR
SCHEMBL10090785 0.79 GRM1 (0.53) KDM4EMEN1KMT2ATSHRGRM1
SCHEMBL10942984 0.79 AKR1C3 (0.48) KDM4E
SCHEMBL12529489 0.79 GRM1 (0.53) KDM4EMEN1KMT2ATSHRGRM1
SCHEMBL9748278 0.79 NOTUM (0.50) NOTUMCSNK2A1CSNK2A2CSNK2BKDM4E
SCHEMBL547358 0.79 NOTUM (0.50) NOTUMCSNK2A1CSNK2A2CSNK2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121324559-A Application of metabonomics marker combination in preparation of product for identifying benign and malignant pulmonary glass nodule 中国人民解放军总医院第八医学中心 2026-01-13 CN disclosed
CN-119827684-A Beijing white pear origin identification method based on metabonomics technology 北京市农林科学院 2025-04-15 CN disclosed
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 EP disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-7960353-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2011-06-14 US disclosed
US-7960353-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2011-06-14 US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 US disclosed
US-7034151-B2 1,4-dihydro-4-oxo-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylates; novel approach to the formation of the bicyclic heterocyclic ring system BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-25 US disclosed
EP-1590335-A4 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-08 EP disclosed
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors CHEN BANG-CHI 2006-02-23 US disclosed
EP-1590335-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-02 EP disclosed
US-20050064563-A1 Nucleic acids for aminocoumarin biosynthesis UNIVERSITAT TUBINGEN (DE) 2005-03-24 US disclosed
WO-2004072030-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO disclosed
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-12 US disclosed
US-4473394-A HERBICIDES E. I. DUPONT DE NEMOURS & COMPANY (US) 1984-09-25 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 (3 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-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors PLK2, CDK2, MAP3K15 NOTUM 2516/4885CSNK2A1 146/4885CSNK2A2 182/4885
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 NOTUM 2691/4885CSNK2A1 280/4885CSNK2A2 268/4885
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 NOTUM 2691/4885CSNK2A1 280/4885CSNK2A2 268/4885

“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.