SCHEMBL386986

SCHEMBL386986

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.49
PARP1 P09874 4/20 0.49
PARP11 Q9NR21 5/20 0.48
GRM5 P41594 4/20 0.45
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
MAPKAPK2 P49137 1/20 0.39
PDPK1 O15530 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PRF1 P14222 2/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL387586 0.87 PARP10 (0.50) PARP10PARP1PARP11GRM5CDC7
SCHEMBL4213794 0.85 PARP10 (0.49) PARP10PARP1PARP11GRM5CDC7
SCHEMBL27753698 0.85 PARP10 (0.52) PARP10PARP1PARP11CDC7DBF4
SCHEMBL393016 0.82 MAPKAPK2 (0.46) PARP1GRM5CDC7DBF4MAPKAPK2
SCHEMBL27749139 0.81 CHEK1 (0.40) PARP10PARP1PARP11CDC7DBF4
SCHEMBL793215 0.77 CDC7 (0.72) PARP10PARP1PARP11GRM5CDC7
SCHEMBL14053667 0.71 PARP10 (0.47) PARP10PARP1PARP11GRM5PDPK1
SCHEMBL27753699 0.71 PARP10 (0.47) PARP10PARP1PARP11GRM5MAPKAPK2
SCHEMBL3003038 0.71 HTR2C (0.44) PARP1CDC7DBF4PDPK1IKBKB
SCHEMBL797294 0.71 PARP10 (0.76) PARP10PARP1PARP11GRM5MAPKAPK2

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 10 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-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-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed
WO-2007146759-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 4815/4885PARP11 4022/4885
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PARP10 3085/4885PARP1 4788/4885PARP11 3955/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PARP10 3108/4885PARP1 4814/4885PARP11 3949/4885

“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.