SCHEMBL8028802

SCHEMBL8028802

Cc1nnc2n1-c1ccccc1CNC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.50
AVPR1A P37288 2/20 0.48
PTAFR P25105 3/20 0.41
CYP11B2 P19099 2/20 0.39
GABRA1 P14867 5/20 0.39
GABRA5 P31644 5/20 0.39
GABRA2 P47869 5/20 0.39
GABRB2 P47870 4/20 0.39
GABRA3 P34903 3/20 0.39
OPRK1 P41145 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
CNR1 P21554 1/20 0.39
TSHR P16473 2/20 0.38
CYP11B1 P15538 1/20 0.38
GABRG2 P18507 1/20 0.38
HTR2A P28223 1/20 0.38
GABRB3 P28472 1/20 0.38
ADRA1A P35348 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL13002472 0.81 TSHR (0.52) AVPR1ACYP11B2HPGDTSHRCYP11B1
SCHEMBL14996184 0.80 AVPR1A (0.46) AVPR1ACYP11B2
SCHEMBL13002467 0.79 CYP11B2 (0.41) BRD4AVPR1APTAFRCYP11B2GABRA1
SCHEMBL11779444 0.78 TSHR (0.59) BRD4AVPR1ACYP11B2TSHRCYP11B1
SCHEMBL13059441 0.77 AVPR1A (0.46) AVPR1APTAFRCYP11B2GABRA1GABRA5
SCHEMBL16215805 0.77 AVPR1A (0.46) AVPR1AGABRA1GABRA5GABRA2GABRB2
SCHEMBL8311751 0.75 BRD4 (0.72) BRD4PTAFRCYP11B2GABRA1GABRA5
SCHEMBL14459933 0.74 AVPR1A (0.48) BRD4AVPR1ACYP11B2TSHRCYP11B1
SCHEMBL12537083 0.72 PNMT (0.35) BRD4PTAFROPRK1PDE4D
SCHEMBL11397265 0.72 BRD4 (0.51) BRD4PTAFRGABRA1GABRA5GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 BRD4 2395/4885AVPR1A 369/4885PTAFR 1423/4885

“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.