SCHEMBL5150872

SCHEMBL5150872

CC(C)n1nc(-c2nc(OCCN3CCOCC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TNK2 Q07912 1/20 0.40
ADCY10 Q96PN6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 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
SCHEMBL5150911 0.89 MEN1 (0.49) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL5149212 0.84 SRC (0.40) ALDH1A1FGFR1FGFR2FGFR3
SCHEMBL5152824 0.84 MPO (0.38) ALDH1A1FGFR1FGFR2FGFR3
SCHEMBL5152430 0.83 ADORA2A (0.46) MEN1KMT2AADORA2AADORA1ALDH1A1
SCHEMBL5148946 0.83 SMN1; SMN2 (0.37) ADORA2AADORA2BFGFR1FGFR2FGFR3
SCHEMBL5148967 0.83 HRH3 (0.36) ADORA2AADORA2BFGFR1FGFR2FGFR3
SCHEMBL5152823 0.82 ADORA2A (0.41) KMT2AADORA2AADORA1LMNAFGFR1
SCHEMBL5147947 0.81 HRH3 (0.34) ADORA2AADORA1ADORA3ADORA2BFGFR1
SCHEMBL5149200 0.81 SRC (0.43) ADORA2AADORA1ALDH1A1FGFR1FGFR2
SCHEMBL5149085 0.80 SRC (0.38) ADORA2AADORA2BALDH1A1FGFR1FGFR2

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 MEN1 4204/4885KMT2A 1528/4885ADORA2A 1/4885

“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.