SCHEMBL6801426

SCHEMBL6801426

Nc1nc2ncn(Cc3ccc4ccccc4c3)c2c(=O)n1Cc1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38
TRPA1 O75762 1/20 0.38
ADORA2A P29274 1/20 0.37
MET P08581 2/20 0.36
CSF1R P07333 1/20 0.36
QPCT Q16769 2/20 0.36
QPCTL Q9NXS2 1/20 0.36
BACE1 P56817 2/20 0.35
VDR P11473 1/20 0.35
SOS1 Q07889 1/20 0.35
P2RX7 Q99572 1/20 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
SCHEMBL6797064 0.93 GAA (0.43) GAASMN1; SMN2ALDH1A1HIF1ATRPA1
SCHEMBL6796275 0.86 KMT2A (0.47) GAASMN1; SMN2ALDH1A1HIF1ATRPA1
SCHEMBL6549287 0.85 GAA (0.40) GAASMN1; SMN2ALDH1A1HIF1ATRPA1
SCHEMBL6548972 0.84 GAA (0.41) GAASMN1; SMN2ALDH1A1
SCHEMBL6550065 0.84 MMP13 (0.42) GAASMN1; SMN2ALDH1A1HIF1ATRPA1
SCHEMBL7113866 0.84 PNP (0.39) MCHR1SMN1; SMN2ALDH1A1HIF1AADORA2A
SCHEMBL6549145 0.83 GAA (0.52) GAASMN1; SMN2ALDH1A1TRPA1
SCHEMBL6549181 0.83 TRPA1 (0.38) GAASMN1; SMN2ALDH1A1HIF1ATRPA1
SCHEMBL6548067 0.83 L3MBTL1 (0.47) GAAADORA2A
SCHEMBL6547901 0.83 GAA (0.39) GAASMN1; SMN2ALDH1A1HIF1ATRPA1

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-20040138212-A1 Disubstituted 1,7-guanines PHARMACIA ITALIA, S.P.A. (IT) 2004-07-15 US claimed
US-20040138212-A1 Disubstituted 1,7-guanines PHARMACIA ITALIA, S.P.A. (IT) 2004-07-15 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-20040138212-A1 Disubstituted 1,7-guanines GDA, UNG, TYMS MCHR1 4738/4885GAA 404/4885SMN1; SMN2 1606/4885

“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.