SCHEMBL21137445

SCHEMBL21137445

FC1(F)CCCN(c2nnc3c(Cl)nccn23)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.40
PTPN11 Q06124 5/20 0.33
EIF2AK4 Q9P2K8 1/20 0.32
CNR2 P34972 2/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL21138812 0.86 CYP2D6 (0.38) PTPN11
SCHEMBL21138254 0.86 CYP2D6 (0.38) PTPN11
SCHEMBL21138897 0.85 PTPN11 (0.36) PTPN11
SCHEMBL21138852 0.85 GRIA1 (0.40) GRIA1PTPN11EIF2AK4
SCHEMBL21138814 0.81 ADORA3 (0.37) PTPN11
SCHEMBL21138580 0.81 ADORA3 (0.37) PTPN11
SCHEMBL21138292 0.81 ADORA3 (0.37) PTPN11
SCHEMBL21138258 0.77 PTPN11 (0.39) PTPN11
SCHEMBL21138813 0.76 PTPN11 (0.41) PTPN11
SCHEMBL21138574 0.74 PTPN11 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRIA1 2936/4885PTPN11 497/4885EIF2AK4 3432/4885

“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.