SCHEMBL5149031

SCHEMBL5149031

CC(C)n1nc(-c2nc(N3CCCCC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
PLAU P00749 1/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NUDT1 P36639 1/20 0.40
ADORA2A P29274 6/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS1 P29475 1/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL5152699 0.99 MAPT (0.40) ALDH1A1PLAUMAPTCYP1A2CYP2C9
SCHEMBL5151108 0.91 HRH3 (0.39) MAPTADORA2AMEN1KMT2ANPSR1
SCHEMBL5149109 0.91 HRH4 (0.43) ALDH1A1MAPTADORA2ANPSR1SMN1; SMN2
SCHEMBL5150685 0.90 HSD17B10 (0.42) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5150733 0.90 ATR (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19ADORA2A
SCHEMBL5152349 0.87 SMO (0.46) ALDH1A1MAPTADORA2ANPSR1HTT
SCHEMBL5149290 0.86 LMNA (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5147939 0.86 HRH3 (0.39) ADORA2AHPGDHRH3
SCHEMBL5149198 0.85 SIRT1 (0.43) ALDH1A1MAPTCYP1A2CYP2C9ADORA2A
SCHEMBL5152563 0.84 ADORA2A (0.37) ADORA2AADORA1PIK3CG

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-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
CN-1938296-A Pyrazine derivatives and pharmaceutical use thereof as adenosine antagonists ASTELLAS PHARMA INC (JP) 2007-03-28 CN disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 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-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 ALDH1A1 748/4885PLAU 3133/4885MAPT 1048/4885

“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.