SCHEMBL5612902

SCHEMBL5612902

c1ccc(-c2ccccc2-c2c[nH]nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
DCUN1D1 Q96GG9 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
SMARCA2 P51531 2/20 0.37
SMARCA4 P51532 2/20 0.37
PBRM1 Q86U86 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
DCUN1D2 Q6PH85 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP2A6 P11509 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
BRD4 O60885 1/20 0.35
NR1I2 O75469 1/20 0.35
ATR Q13535 1/20 0.35
NPC1 O15118 2/20 0.34

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
SCHEMBL31231553 1.00 AKT1 (0.41) AKT1AKT2DCUN1D1NISCHSMARCA2
SCHEMBL2197897 0.89 ALDH1A1 (0.38) AKT1AKT2PBRM1ALDH1A1MAPK1
SCHEMBL415 0.85 NPC1 (0.40) ALDH1A1MAPK1HPGDNPC1RAB9A
SCHEMBL16735645 0.85 ABL1 (0.47) ALDH1A1HSD17B10HPGDBCL2L1NPC1
SCHEMBL9868 0.83 AKT1 (0.46) AKT1AKT2SMARCA2SMARCA4PBRM1
SCHEMBL28531472 0.81 AKT1 (0.45) AKT1AKT2SMARCA2SMARCA4PBRM1
SCHEMBL6741233 0.81 AKT1 (0.45) AKT1AKT2SMARCA2SMARCA4PBRM1
SCHEMBL8020144 0.80 ALDH1A1 (0.44) AKT1AKT2NISCHALDH1A1HSD17B10
SCHEMBL12989702 0.79 AKT1 (0.48) AKT1AKT2ALDH1A1HSD17B10MAPK1
SCHEMBL17443257 0.79 PTGS2 (0.43) AKT1AKT2ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US claimed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US claimed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP claimed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP claimed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO claimed
EP-0310083-B1 PROCESS FOR QUENCHING OR SUPPRESSING THE FLUORESCENCE OF OPTICALLY BRIGHTENED SUBSTRATES CIBA-GEIGY AG (CH) 1993-01-13 EP claimed
EP-0259530-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA LTD (JP) 1992-04-08 EP claimed
US-4950304-A AFTERTREATMENT OR PRETREATMENT OF NYLON TRICOT FABRICS WITH A UV ABSORBER AND FIXING CIBA-GEIGY CORPORATION (US) 1990-08-21 US claimed
EP-0310083-A1 Process for quenching or suppressing the fluorescence of optically brightened substrates CIBA-GEIGY AG (CH) 1989-04-05 EP claimed
US-20070077641-A1 Methionine aminopeptidase and methods of use PALMER LESLIE 2007-04-05 US disclosed
EP-1624849-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-15 EP disclosed
WO-2005016237-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 WO disclosed
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US disclosed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP disclosed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 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 (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-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents METAP1, METAP2, DNPEP AKT1 1984/4885AKT2 1401/4885DCUN1D1 3013/4885
US-20030220371-A1 Compounds and methods METAP2, METAP1, DNPEP AKT1 2374/4885AKT2 1089/4885DCUN1D1 3957/4885

“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.