SCHEMBL13021135

SCHEMBL13021135

CNc1ccc2c(C3CCNCC3)c[nH]c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.64
HTR2C P28335 5/20 0.47
ADRB2 P07550 1/20 0.47
HTR1F P30939 3/20 0.46
USP28 Q96RU2 1/20 0.37
USP25 Q9UHP3 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL12874693 0.82 APP (0.56) APPHTR2CADRB2HTR1F
SCHEMBL12874780 0.81 APP (0.59) APPHTR2CADRB2HTR1F
SCHEMBL12129565 0.81 APP (0.59) APPHTR2CADRB2HTR1F
SCHEMBL12132005 0.79 APP (0.56) APPHTR2CADRB2HTR1FIKBKB
SCHEMBL12874707 0.79 APP (0.56) APPHTR2CADRB2HTR1FIKBKB
SCHEMBL12874810 0.79 APP (0.56) APPHTR2CADRB2HTR1FIKBKB
SCHEMBL12874689 0.79 APP (0.56) APPHTR2CADRB2HTR1FUSP28
SCHEMBL12889637 0.79 APP (0.53) APPHTR2CADRB2HTR1F
SCHEMBL12129560 0.78 APP (1.00) APPHTR2CADRB2HTR1F
SCHEMBL12129574 0.76 APP (1.00) APPHTR2CADRB2HTR1F

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842692-B2 Azaindole derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2010-11-30 US disclosed
US-7842692-B2 Azaindole derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2010-11-30 US disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 US disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 US disclosed
EP-1911759-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-16 EP 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-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 APP 4371/4885HTR2C 134/4885ADRB2 52/4885

“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.