SCHEMBL4351043

SCHEMBL4351043

CSc1nc(C(N)=O)nn1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
PDPK1 O15530 1/20 0.35
MAPK1 P28482 1/20 0.32
KMT2A Q03164 2/20 0.31
F2 P00734 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
AR P10275 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9479513 0.82 KMT2A (0.35) POLBKMT2AF2CYP1A2MAPT
SCHEMBL30900609 0.74 PIM3 (0.39) POLBMAPK1KMT2AMEN1L3MBTL1
SCHEMBL6822701 0.73 MAPK1 (0.32) POLBMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6825781 0.72 MAPK1 (0.31) POLBMAPK1
SCHEMBL11466443 0.70
SCHEMBL31759486 0.69 MAPK1 (0.32) MAPK1L3MBTL1
SCHEMBL4351046 0.69
SCHEMBL5275675 0.68 MAPT (0.31) MAPT
SCHEMBL10274503 0.66
SCHEMBL9479503 0.65 MEN1 (0.32) KMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612094-B2 Tri-substituted heteroaryls and methods of making and using the same BIOGEN IDEC MA INC. (US) 2009-11-03 US claimed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same BIOGEN MA INC. 2006-03-23 US claimed
CN-1658866-A Tri-substituted heteroaryls and methods of making and using the same BIOGEN INC (US) 2005-08-24 CN claimed
EP-1499308-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2005-01-26 EP claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
WO-2003087304-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2003-10-23 WO claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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 (3 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 POLB 3619/4885PDPK1 1907/4885MAPK1 3432/4885
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same ALK, ACVR1, ACVRL1 POLB 4049/4885PDPK1 3745/4885MAPK1 2598/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 POLB 3619/4885PDPK1 1907/4885MAPK1 3432/4885

“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.