SCHEMBL5454465

SCHEMBL5454465

c1ccc(CNc2nccc(N3Cc4c[nH]nc4C3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ HRH2 P25021 1/20 0.49
▸ HTR1D P28221 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ HTR5A P47898 1/20 0.49
▸ HTR6 P50406 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ LCK P06239 1/20 0.47
▸ OGA O60502 4/20 0.46
▸ IDH1 O75874 5/20 0.44
▸ GRIN2D O15399 1/20 0.42

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
SCHEMBL5454669 0.85 HRH4 (0.50) HRH4HRH3ADRA2BADRA2CSLC6A2
SCHEMBL5454470 0.81 ADRA2B (0.48) HRH4HRH3ADRA2BADRA2CSLC6A2
SCHEMBL5444553 0.79 HRH4 (0.51) HRH4IDH1MKNK1ROCK2
SCHEMBL26708280 0.76 CXCR4 (0.63) HRH4HRH3ADRA2BADRA2CSLC6A2
SCHEMBL1588414 0.75 HRH4 (0.81) HRH4HRH3ADRA2BADRA2CSLC6A2
SCHEMBL847908 0.75 HRH4 (0.66) HRH4HRH3ADRA2BADRA2CSLC6A2
Hydrochloric Acid SCHEMBL27538719 0.74 HRH4 (0.64) HRH4HRH3ADRA2BADRA2CSLC6A2
SCHEMBL8349470 0.72 OGA (0.57) HRH4HRH3ADRA2BADRA2CSLC6A2
SCHEMBL12703055 0.71 HRH4 (0.56) HRH4HRH3ADRA2BADRA2CSLC6A2
SCHEMBL1588714 0.70 HRH4 (0.69) HRH4HRH3ADRA2BADRA2CSLC6A2

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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 — — 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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K7, MAP3K19 HRH4 3846/4885HRH3 3025/4885ADRA2B 3757/4885

“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.

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