SCHEMBL15219155

SCHEMBL15219155

Cc1nc(N2CCNC[C@H]2C)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.48
HTR2A P28223 8/20 0.48
KCNH2 Q12809 2/20 0.48
ADRB2 P07550 1/20 0.42
HTR2B P41595 8/20 0.42
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39

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
SCHEMBL5585784 0.86 ADRB2 (0.60) HTR2CHTR2AKCNH2ADRB2HTR2B
SCHEMBL5585823 0.86 ADRB2 (0.60) HTR2CHTR2AKCNH2ADRB2HTR2B
SCHEMBL5585780 0.86 ADRB2 (0.60) HTR2CHTR2AKCNH2ADRB2HTR2B
SCHEMBL10034652 0.82 HTR2C (0.49) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL10034646 0.82 HTR2C (0.49) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL15217043 0.82 HTR2C (0.47) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL5585597 0.81 HTR2C (0.46) HTR2CHTR2AKCNH2ADRB2HTR2B
SCHEMBL5585599 0.81 HTR2C (0.46) HTR2CHTR2AKCNH2ADRB2HTR2B
SCHEMBL6204964 0.79 ADRB2 (0.58) HTR2CHTR2AKCNH2ADRB2HTR2B
SCHEMBL5585663 0.77 HTR2C (0.51) HTR2CHTR2AKCNH2HTR2BPIM1

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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND PDE9A, PDE5A, PDE2A HTR2C 4031/4885HTR2A 3728/4885KCNH2 1269/4885

“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.