SCHEMBL5010679

SCHEMBL5010679

O=CNc1ccncc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 17/20 0.50
KDM6B O15054 7/20 0.46
KDM4D Q6B0I6 4/20 0.46
KDM4E B2RXH2 2/20 0.46
KDM4A O75164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM5A P29375 2/20 0.41

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
SCHEMBL5010704 0.81 KDM4E (0.53) KDM4CKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL188821 0.79 KDM4C (0.55) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL19611328 0.79 KDM4C (0.55) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL9616247 0.79 KDM4C (0.55) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL3823398 0.79 KDM4C (0.76) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL9207139 0.77 CA12 (0.37) KDM4CALDH1A1
SCHEMBL4429003 0.75 KDM4C (0.54) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL31620734 0.75 KDM4C (0.54) KDM4CKDM6BKDM4DKDM4EKDM4A
Acetone SCHEMBL2032550 0.75 KDM4C (0.54) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL30545176 0.74 KDM4C (0.54) KDM4CKDM6BKDM4DKDM4EKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459561-B2 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2008-12-02 US disclosed
US-7189858-B2 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2007-03-13 US disclosed
US-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2007-02-01 US disclosed
US-7151182-B2 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2006-12-19 US disclosed
EP-1280795-B1 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2005-03-23 EP disclosed
US-20050038075-A1 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2005-02-17 US disclosed
US-20050038038-A1 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2005-02-17 US disclosed
US-6812238-B1 WATER SOLUBLE FUNGICIDES FOR SYSTEMIC MYCOSES; ORAL AND PARENTERAL ADMINISTRATION BASILEA PHARMACEUTICA AG (CH) 2004-11-02 US disclosed
US-6713484-B2 FUSED RING PYRIMIDINE DERIVATIVES; LOW CYTOTOXICITY WARNER-LAMBERT COMPANY 2004-03-30 US disclosed
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2003-10-02 US disclosed
US-6521620-B1 Suppressing tumors, especially breast cancers; antiproli-ferative agents; arthritis, vascular restenosis, psoriasis and angiogenesis; extremely low cytotoxicity WARNER-LAMBERT COMPANY 2003-02-18 US disclosed
EP-1280795-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES Basilea Pharmaceutica AG (CH) 2003-02-05 EP disclosed
US-6455534-B2 ANTIPROLIVERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; MITOGENESIS-ACTIVATED PROTEIN KINASE INHIBITORS; NONCYTOTOXIC; BINDING WITH HIGH AFFINITY AT THE ADENOSINE TRIPHOSPHATE BINDING SITE OF THE KINASES WARNER-LAMBERT COMPANY 2002-09-24 US disclosed
US-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2001-10-04 US disclosed
US-6265410-B1 ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
WO-2001032652-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 WO disclosed
US-6084095-A INCLUDING 6-AMINO-4-(3-BROMOANILINO)PYRIDO(3,2-D)PYRIMIDINE; 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO (3,2-D)PYRIMIDINE; AND 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO(3,2-D)PYRIMIDINE; USEFUL IN TREATING PROLIFERATIVE DISEASES SUCH AS CANCER WARNER-LAMBERT COMPANY (US) 2000-07-04 US disclosed
US-5654307-A ANTICARCINOGENIC AGENTS, ANTIARTHRITIC AGENT, SKIN DISORDERS WARNER-LAMBERT COMPANY (US) 1997-08-05 US disclosed
EP-0742717-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-20 EP disclosed
WO-1995019774-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 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-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, NAALAD2 KDM4C 473/4885KDM6B 676/4885KDM4D 780/4885
US-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 KDM4C 1773/4885KDM6B 1239/4885KDM4D 2921/4885
US-20050038038-A1 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, NAALAD2 KDM4C 381/4885KDM6B 582/4885KDM4D 697/4885
US-20050038075-A1 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, CPS1 KDM4C 1005/4885KDM6B 1218/4885KDM4D 2041/4885
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 KDM4C 1749/4885KDM6B 1506/4885KDM4D 2930/4885

“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.