SCHEMBL5672298

SCHEMBL5672298

O=S(=O)(c1ccccc1)c1ccc(C#Cc2ccc(F)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.51
KCNH2 Q12809 3/20 0.51
AGTR1 P30556 1/20 0.48
GRM5 P41594 5/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
AKR1B1 P15121 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NAMPT P43490 1/20 0.38
FFAR1 O14842 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5672361 0.91 AGTR1 (0.53) AGTR1GRM5CYP11B1CYP11B2AKR1B1
SCHEMBL5671824 0.85 AGTR1 (0.45) HTR2AKCNH2AGTR1GRM5CYP11B1
SCHEMBL7368039 0.80 GRM5 (0.41) HTR2AKCNH2GRM5AKR1B1PKM
SCHEMBL4350622 0.77 CA12 (0.58) HTR2AKCNH2PKMLMNACA12
SCHEMBL6601315 0.74 HTR2A (0.40) HTR2AKCNH2GRM5PKMLMNA
SCHEMBL6877909 0.73 GRM5 (0.46) GRM5CA12CA1CA2CA9
SCHEMBL28281697 0.73 PKM (0.47) PKMCA12CA1CA2CA9
SCHEMBL10834173 0.72 AGTR1 (0.65) HTR2AKCNH2AGTR1CYP11B1CYP11B2
SCHEMBL25356808 0.70 HTR2A (0.62) HTR2AKCNH2AGTR1AKR1B1PKM
SCHEMBL3158170 0.70 HTR2A (0.62) HTR2AKCNH2AGTR1AKR1B1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030121-B2 Pyrazolopyrazine compound and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2006-04-18 US disclosed
US-20040152706-A1 Pyrazolopyrazine compound pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2004-08-05 US disclosed
WO-2002100864-A1 PYRAZOLOPYRAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-19 WO 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-20040152706-A1 Pyrazolopyrazine compound pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 HTR2A 68/4885KCNH2 36/4885AGTR1 544/4885

“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.