SCHEMBL6937399

SCHEMBL6937399

C=CCc1ccc2nc(C(=O)O)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
XDH P47989 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
ALDH2 P05091 1/20 0.40
GAA P10253 1/20 0.40
GABRA1 P14867 1/20 0.40
AKR1B1 P15121 1/20 0.40
HPGD P15428 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GABRB2 P47870 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS1 P23219 2/20 0.38
CYP3A4 P08684 3/20 0.37

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
SCHEMBL15045025 0.80 MGAM (0.51) MGAMMEN1KMT2AALDH1A1KDM4E
SCHEMBL12599790 0.76 MGAM (0.51) MGAMMEN1KMT2AALDH1A1KDM4E
SCHEMBL4301102 0.75 MGAM (0.46) MGAMMEN1KMT2AALDH1A1KDM4E
SCHEMBL9798950 0.74 MAPT (0.53) XDHMEN1KMT2AALDH1A1KDM4E
SCHEMBL31688776 0.74 PKM (0.55) MGAMMEN1KMT2AALDH1A1KDM4E
SCHEMBL10432643 0.72 P4HTM (0.62) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL19062614 0.72 PTGS1 (0.56) XDHMEN1KMT2AALDH1A1KDM4E
SCHEMBL12405037 0.72 MGAM (0.63) MGAMMEN1KMT2AALDH1A1KDM4E
SCHEMBL3259762 0.72 XDH (0.58) XDHMEN1KMT2AALDH1A1KDM4E
SCHEMBL2211860 0.72 MGAM (0.58) MGAMMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-0188037-B1 BIDENTATE CHELATING MONOMERS AND POLYMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-05-04 EP disclosed
EP-0188037-A1 Bidentate chelating monomers and polymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-07-23 EP disclosed
US-4500601-A PROTECTIVE COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-02-19 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 (2 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-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 MGAM 4650/4885XDH 205/4885MEN1 3319/4885
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 MGAM 4747/4885XDH 381/4885MEN1 3108/4885

“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.