SCHEMBL13002467

SCHEMBL13002467

Cc1nnc2n1-c1cc(F)ccc1CNC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.41
PTAFR P25105 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP11B1 P15538 2/20 0.39
BRD4 O60885 3/20 0.37
AVPR1A P37288 2/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
GABRA1 P14867 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
HPGD P15428 2/20 0.33
HTR2A P28223 1/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
GABRA3 P34903 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14996186 0.82 CYP11B2 (0.42) CYP11B2PTAFRCYP1A2CYP2D6AVPR1A
SCHEMBL8028803 0.81 CYP17A1 (0.40) CYP11B2CYP1A2CYP2D6CYP11B1AVPR1A
SCHEMBL8028802 0.79 BRD4 (0.50) CYP11B2PTAFRCYP11B1BRD4AVPR1A
SCHEMBL3760445 0.73 AVPR1A (0.32) AVPR1A
SCHEMBL14996183 0.72 CYP11B2 (0.38) CYP11B2CYP1A2CYP2D6CYP11B1AVPR1A
SCHEMBL11409015 0.72 PTAFR (0.41) CYP11B2PTAFRCYP11B1BRD4GABRA1
SCHEMBL11394966 0.71 PTAFR (0.41) CYP11B2PTAFRCYP11B1BRD4GABRA1
SCHEMBL8029367 0.70 ADRA1A (0.36) CYP1A2CYP2D6AVPR1AHTR2CHTR2B
SCHEMBL12537083 0.68 PNMT (0.35) PTAFRBRD4OPRK1
SCHEMBL787636 0.67 BRPF1 (0.39) CYP1A2CYP2D6HTR2CHTR2BGABRA1

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 4 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

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 CYP11B2 164/4885PTAFR 1423/4885CYP1A2 186/4885

“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.