SCHEMBL4764015

SCHEMBL4764015

Cc1cc(=O)n(Cc2ccc(F)cc2)c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 2/20 0.57
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 3/20 0.56
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
USP2 O75604 2/20 0.50
KDM4E B2RXH2 1/20 0.50
KDM4A O75164 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.49
GLA P06280 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL6243233 0.85 KMT2A (0.55) KMT2ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL4762572 0.83 ALDH1A1 (0.63) KMT2AGAAALDH1A1MAPTRECQL
SCHEMBL30998833 0.82 KMT2A (1.00) KMT2ASMN1; SMN2GAAALDH1A1HSD17B10
SCHEMBL4864080 0.81 TYMS (0.48) KMT2ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL5801672 0.79 L3MBTL1 (0.59) KMT2AL3MBTL1MEN1
SCHEMBL172575 0.78 MAPT (0.44) KMT2ASMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL4765196 0.77 KMT2A (0.42) KMT2ASMN1; SMN2ALDH1A1HSD17B10MAPT
SCHEMBL4771370 0.73 ALDH1A1 (0.53) KMT2ASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL9420347 0.73 KMT2A (0.52) KMT2AGAAALDH1A1MAPK1USP2
SCHEMBL10084492 0.73 KMT2A (0.61) KMT2ASMN1; SMN2ALDH1A1MAPTUSP2

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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 KMT2A 1806/4885SMN1; SMN2 3995/4885GAA 3483/4885

“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.