SCHEMBL2992654

SCHEMBL2992654

O=C1N=C(Nc2c(Cl)cccc2Cl)SC1=Cc1ccc2ncccc2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
PABPC1 P11940 1/20 0.34
EIF4H Q15056 1/20 0.34
C1R P00736 1/20 0.34
DYRK3 O43781 2/20 0.34
CISD1 Q9NZ45 1/20 0.34
KDM4E B2RXH2 2/20 0.33
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 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
SCHEMBL2992651 1.00 ALOX5 (0.36) ALOX5KMT2AMEN1POLBMAPT
SCHEMBL4587956 0.83 DYRK3 (0.41) ALOX5KMT2AMEN1POLBMAPT
SCHEMBL5049802 0.83 DYRK3 (0.41) ALOX5KMT2AMEN1POLBMAPT
SCHEMBL2993530 0.81 CLK1 (0.41) ALOX5KMT2AMEN1POLBMAPT
SCHEMBL2993535 0.81 CLK1 (0.41) ALOX5KMT2AMEN1POLBMAPT
SCHEMBL2786668 0.79 ALOX5 (0.40) ALOX5KMT2AMEN1MAPTALDH1A1
SCHEMBL2786666 0.79 ALOX5 (0.40) ALOX5KMT2AMEN1MAPTALDH1A1
SCHEMBL2993698 0.79 CLK1 (0.53) ALOX5KMT2AMEN1POLBMAPT
SCHEMBL4148685 0.79 CLK1 (0.53) ALOX5KMT2AMEN1POLBMAPT
SCHEMBL2993704 0.79 CLK1 (0.53) ALOX5KMT2AMEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP claimed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP claimed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 ALOX5 4155/4885KMT2A 3294/4885MEN1 3889/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 ALOX5 2869/4885KMT2A 2272/4885MEN1 37/4885

“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.