SCHEMBL13059441

SCHEMBL13059441

FC(F)(F)c1nnc2n1-c1ccccc1CNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.46
CYP11B2 P19099 4/20 0.43
CYP11B1 P15538 2/20 0.37
PTAFR P25105 3/20 0.35
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31

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
SCHEMBL11777388 0.80 CYP11B2 (0.57) AVPR1ACYP11B2CYP11B1PTAFRTSHR
SCHEMBL8028802 0.77 BRD4 (0.50) AVPR1ACYP11B2CYP11B1PTAFRTSHR
SCHEMBL13002472 0.75 TSHR (0.52) AVPR1ACYP11B2CYP11B1TSHRSMN1; SMN2
SCHEMBL14996184 0.73 AVPR1A (0.46) AVPR1ACYP11B2SMN1; SMN2
SCHEMBL16215805 0.73 AVPR1A (0.46) AVPR1ATSHRSMN1; SMN2GABRPGABRD
SCHEMBL22077740 0.69 AVPR1A (0.44) AVPR1ATSHRGABRPGABRDGABRA1
SCHEMBL20582162 0.68 AVPR1A (0.56) AVPR1A
SCHEMBL2566714 0.67 AVPR1A (0.71) AVPR1ACYP11B2
SCHEMBL8028803 0.66 CYP17A1 (0.40) AVPR1ACYP11B2CYP11B1TSHR
SCHEMBL2340498 0.66 AVPR1A (0.38) AVPR1ACYP11B2CYP11B1TSHRSMN1; SMN2

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 2 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-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 AVPR1A 369/4885CYP11B2 164/4885CYP11B1 129/4885

“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.