SCHEMBL387586

SCHEMBL387586

O=C1NCCc2cc(-c3ccc(Cl)cc3)sc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.50
PARP1 P09874 3/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
PARP11 Q9NR21 8/20 0.49
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
JAK2 O60674 1/20 0.41
NTRK1 P04629 1/20 0.41
MET P08581 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MST1R Q04912 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41

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
SCHEMBL4213794 0.87 PARP10 (0.49) PARP10PARP1F7F3PARP11
SCHEMBL386986 0.87 PARP10 (0.49) PARP10PARP1F7F3PARP11
SCHEMBL393016 0.83 MAPKAPK2 (0.46) PARP1CDC7DBF4GRM5MAPKAPK2
SCHEMBL27753698 0.83 PARP10 (0.52) PARP10PARP1F7F3PARP11
SCHEMBL27749139 0.80 CHEK1 (0.40) PARP10PARP1PARP11CDC7DBF4
SCHEMBL27753699 0.78 PARP10 (0.47) PARP10PARP1F7F3PARP11
SCHEMBL14053667 0.75 PARP10 (0.47) PARP10PARP1F7F3PARP11
SCHEMBL4190309 0.73 PRKDC (0.44) PRKDCIKBKBKDM4ELMNARAB9A
SCHEMBL8155836 0.72 PARP10 (0.76) PARP10PARP1F7F3PARP11
SCHEMBL2075618 0.71 GRM5 (0.50) PARP10PARP1F7F3GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 US disclosed
CN-101460503-A Novel MCH receptor antagonists LILLY CO ELI (US) 2009-06-17 CN disclosed
CN-101454328-A Novel mch receptor antagonists LILLY CO ELI (US) 2009-06-10 CN disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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 (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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PARP10 3190/4885PARP1 4815/4885F7 4294/4885
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PARP10 3085/4885PARP1 4788/4885F7 4217/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PARP10 3108/4885PARP1 4814/4885F7 4359/4885

“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.