SCHEMBL5381007

SCHEMBL5381007

CC=C(C)CSc1nc(Nc2ccccc2C(C)C)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.43
IGF1R P08069 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
PLK1 P53350 1/20 0.35
CCNA1 P78396 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
PLK2 Q9NYY3 1/20 0.35
CCR4 P51679 1/20 0.34
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NLRP3 Q96P20 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5381004 1.00 METAP2 (0.43) METAP2IGF1RPIK3CAPIK3CBPIK3CG
SCHEMBL5372002 0.84 METAP2 (0.51) METAP2
SCHEMBL5372004 0.84 METAP2 (0.51) METAP2
SCHEMBL5371953 0.82 TSHR (0.46) METAP2TSHRCASP1HSD17B10
SCHEMBL5371957 0.82 TSHR (0.46) METAP2TSHRCASP1HSD17B10
SCHEMBL5381607 0.81 METAP2 (0.54) METAP2IGF1RCCNA2CDK2PLK1
SCHEMBL5376650 0.81 ALDH1A1 (0.47) KDM4ETSHRCASP1HSD17B10
SCHEMBL5376651 0.81 ALDH1A1 (0.47) KDM4ETSHRCASP1HSD17B10
SCHEMBL5381603 0.81 METAP2 (0.54) METAP2IGF1RCCNA2CDK2PLK1
SCHEMBL5382055 0.81 METAP2 (0.49) METAP2IGF1RPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO claimed
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 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 (1 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP METAP2 1/4885IGF1R 625/4885PIK3CA 1631/4885

“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.