SCHEMBL4771623

SCHEMBL4771623

O=Cc1cnn(Cc2cccc(F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.50
SCD5 Q86SK9 9/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADORA2B P29275 4/20 0.45
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ADORA3 P0DMS8 2/20 0.44

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
SCHEMBL17094884 0.83 MEN1 (0.49) LMNATDP1L3MBTL1MAOAMAOB
SCHEMBL4766057 0.82 ADORA2B (0.48) SCD5ALDH1A1LMNAL3MBTL1ADORA2B
SCHEMBL30755398 0.82 LMNA (0.58) ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL20658807 0.82 L3MBTL1 (0.55) SCDSCD5SMN1; SMN2TDP1L3MBTL1
SCHEMBL1244985 0.82 L3MBTL1 (0.57) ALDH1A1LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL15652083 0.80 CREBBP (0.57) SCDALDH1A1L3MBTL1CYP11B1CYP11B2
SCHEMBL4771344 0.80 MEN1 (0.66) ALDH1A1LMNAL3MBTL1ADORA2BADORA2A
SCHEMBL17094947 0.80 AOC2 (0.40) SCDSCD5LMNATDP1L3MBTL1
SCHEMBL15652816 0.79 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL3616273 0.78 MAPT (0.65) SCDSCD5ALDH1A1LMNAL3MBTL1

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 5 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
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 WO 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 SCD 3283/4885SCD5 3809/4885ALDH1A1 1178/4885

“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.