SCHEMBL21138252

SCHEMBL21138252

FC(F)(F)C1CCCN(c2nnc3c(Cl)nccn23)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.36
POLB P06746 1/20 0.34
PTPN11 Q06124 7/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
PRCP P42785 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
SCHEMBL21138574 0.86 PTPN11 (0.37) PTPN11
SCHEMBL19917077 0.86 MAP4K4 (0.44) MAP4K4EIF2AK4PTPN11TRPV3PSEN1
SCHEMBL21138382 0.81 RXFP1 (0.38) MAP4K4PTPN11
SCHEMBL21138579 0.79 PTPN11 (0.39) MAP4K4EIF2AK4PTPN11
SCHEMBL21138580 0.78 ADORA3 (0.37) PTPN11MEN1GAAKMT2A
SCHEMBL21138292 0.78 ADORA3 (0.37) PTPN11MEN1GAAKMT2A
SCHEMBL21138814 0.78 ADORA3 (0.37) PTPN11MEN1GAAKMT2A
SCHEMBL21138319 0.77 ADRA1A (0.41)
SCHEMBL21137441 0.75 PTPN11 (0.35) PTPN11
SCHEMBL21138811 0.75 PIK3C3 (0.32) PTPN11

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-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A MAP4K4 1623/4885EIF2AK4 3432/4885POLB 1613/4885

“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.