SCHEMBL1839901

SCHEMBL1839901

NC(=S)/C=C(/N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
BLM P54132 2/20 0.42
RECQL P46063 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
F12 P00748 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42
PMP22 Q01453 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 3/20 0.39

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
SCHEMBL12285402 1.00 MAPT (0.42) MAPTBLMRECQLTSHRHSD17B10
SCHEMBL1839902 1.00 MAPT (0.42) MAPTBLMRECQLTSHRHSD17B10
SCHEMBL14507331 0.79 HDAC1 (0.43) MAPTBLMRECQLTSHRHSD17B10
SCHEMBL11124453 0.77 METTL3 (0.42) MAPTALDH1A1ATMMETTL3GAA
SCHEMBL10956171 0.77 LMNA (0.45) MAPTTSHRHSD17B10L3MBTL1POLB
SCHEMBL11124456 0.77 METTL3 (0.42) MAPTALDH1A1ATMMETTL3GAA
SCHEMBL10956169 0.77 LMNA (0.45) MAPTTSHRHSD17B10L3MBTL1POLB
SCHEMBL13762113 0.76 BLM (0.42) MAPTBLMRECQLTSHRHSD17B10
SCHEMBL11858226 0.76 TDP1 (0.54) MAPTBLMRECQLTSHRHSD17B10
SCHEMBL4240912 0.76 TDP1 (0.54) MAPTBLMRECQLTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960419-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2011-06-14 US disclosed
EP-2076502-B1 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-05-18 EP disclosed
US-20090182025-A1 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY 2009-07-16 US disclosed
EP-2076502-A2 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-07-08 EP disclosed
WO-2008103185-A2 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-08-28 WO disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
EP-0129407-A2 Improvements in and relating to (3-aryl-5-isothiazolyl)ureas ELI LILLY AND COMPANY (US) 1984-12-27 EP 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-20090182025-A1 SUBSTITUTED CARBOXAMIDES CNR2, TRPV1, CNR1 MAPT 1765/4885BLM 4389/4885RECQL 4107/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A MAPT 1927/4885BLM 927/4885RECQL 1008/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 MAPT 2249/4885BLM 2400/4885RECQL 1591/4885

“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.