SCHEMBL5149198

SCHEMBL5149198

COc1ccc(N2CCN(c3nc(-c4ccc(=O)n(C(C)C)n4)c(-c4ccccc4)nc3N)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.43
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 5/20 0.38
METAP1 P53582 2/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
DHFR P00374 1/20 0.37
ALDH1A1 P00352 4/20 0.37
USP2 O75604 3/20 0.37
CYP1A2 P05177 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5151108 0.92 HRH3 (0.39) TP53ADORA2AADORA1MAPTSMN1; SMN2
SCHEMBL5149109 0.86 HRH4 (0.43) ADORA2AADORA1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5152699 0.86 MAPT (0.40) LMNATP53ADORA2AADORA1MAPT
SCHEMBL5150685 0.85 HSD17B10 (0.42) LMNAADORA3ADORA2AADORA1MAPT
SCHEMBL5149031 0.85 ALDH1A1 (0.41) LMNAADORA2AADORA1MAPTSMN1; SMN2
SCHEMBL5147939 0.84 HRH3 (0.39) ADORA2AHRH3
SCHEMBL5150733 0.83 ATR (0.37) ADORA2AADORA1ALDH1A1USP2CYP1A2
SCHEMBL5152349 0.83 SMO (0.46) TP53ADORA2AADORA1MAPTALDH1A1
SCHEMBL5149290 0.82 LMNA (0.43) LMNATP53MAPTSMN1; SMN2KMT2A
SCHEMBL5149038 0.79 HRH3 (0.46) ADORA2AADORA1MAPTKMT2ADHFR

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 2 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
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 SIRT1 1049/4885LMNA 2809/4885TP53 2221/4885

“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.