SCHEMBL2583764

SCHEMBL2583764

Brc1cnc2nc(OC3CCNCC3)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
IKBKB O14920 4/20 0.40
CHUK O15111 3/20 0.40
ROCK1 Q13464 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH1 P35367 1/20 0.33
ACACB O00763 1/20 0.33
SLC6A4 P31645 2/20 0.33
KHK P50053 1/20 0.33
HTR6 P50406 1/20 0.33
LTA4H P09960 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
LCK P06239 2/20 0.32
MAP4K3 Q8IVH8 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
SCHEMBL2592476 0.78 HRH3 (0.42) HRH3IKBKBCHUKACACBLTA4H
SCHEMBL2591565 0.77 ACACB (0.53) IKBKBCHUKSMN1; SMN2HRH1ACACB
SCHEMBL2591704 0.73 GPR119 (0.44) HRH3ACACBLTA4H
SCHEMBL12178005 0.73 GPR119 (0.45)
SCHEMBL7958453 0.72 HRH3 (0.44) HRH3ACACBLTA4H
SCHEMBL21746144 0.70 HRH1 (0.41) IKBKBCHUKROCK1HRH1MAP4K3
SCHEMBL27571710 0.70 HRH1 (0.43) IKBKBCHUKROCK1HRH1SLC6A4
SCHEMBL16759746 0.69 IKBKB (0.43) IKBKBCHUKHRH1SLC6A4HTR6
SCHEMBL21062109 0.69 HRH3 (0.45) HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL4711714 0.68 HRH1 (0.42) IKBKBCHUKROCK1HRH1SLC6A4

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-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 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 (1 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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 HRH3 522/4885IKBKB 2127/4885CHUK 1020/4885

“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.