SCHEMBL863488

SCHEMBL863488

CCN(CC)c1nc2c(C)c(F)ccc2cc1C(C)Nc1nc(C)nc(N)n1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
HTR2C P28335 1/20 0.32
HTR6 P50406 1/20 0.32
OPRK1 P41145 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TPH1 P17752 1/20 0.30
PIK3R2 O00459 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL15184809 1.00 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL15184779 0.87 MAPT (0.35)
SCHEMBL864259 0.84 PIK3CD (0.41) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL15184790 0.84 PIK3CD (0.41) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL863980 0.79 MAPT (0.30)
SCHEMBL15875847 0.78 OPRK1 (0.40) OPRK1ALDH1A1
SCHEMBL713421 0.78 OPRK1 (0.40) OPRK1ALDH1A1
Hydrochloric Acid SCHEMBL863359 0.77 TERT (0.32) OPRK1
SCHEMBL864178 0.77 HTR7 (0.39) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL15184778 0.77 HTR7 (0.39) HTR7ADRA1DADRA1AADRA1BHTR2C

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-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA HTR7 1818/4885ADRA1D 3469/4885ADRA1A 3834/4885

“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.