SCHEMBL4769322

SCHEMBL4769322

Cc1ccc(Cn2cc(C=O)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 3/20 0.51
DUSP3 P51452 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.45
CYP2A6 P11509 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
PSD A5PKW4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KLKB1 P03952 4/20 0.40
POLB P06746 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL17591714 0.85 HSD17B10 (0.49) SMN1; SMN2L3MBTL1KMT2AMAPTPSD
SCHEMBL16486803 0.84 KLKB1 (0.48) SMN1; SMN2RAB9ADUSP3L3MBTL1CYP2A6
SCHEMBL30755398 0.84 LMNA (0.58) SMN1; SMN2RAB9AKMT2ANPC1MAPT
SCHEMBL1244985 0.83 L3MBTL1 (0.57) SMN1; SMN2RAB9AL3MBTL1NPC1MAPT
SCHEMBL17094867 0.83 L3MBTL1 (0.50) RAB9AL3MBTL1KMT2ANPC1CYP2A6
SCHEMBL17095073 0.82 CYP3A4 (0.60) MAPTPSDHSD17B10LMNA
SCHEMBL18616337 0.81 L3MBTL1 (0.59) SMN1; SMN2RAB9AL3MBTL1NPC1MAPT
SCHEMBL18235823 0.80 KMT2A (0.62) SMN1; SMN2RAB9AL3MBTL1KMT2ANPC1
SCHEMBL20658827 0.80 HSD17B10 (0.67) SMN1; SMN2L3MBTL1KMT2AMAPTTP53
SCHEMBL19609086 0.80 CA12 (0.47) SMN1; SMN2RAB9AKMT2ANPC1MAPT

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 4 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
CN-1890241-A A2BAdenosine receptor antagonists CV THERAPEUTICS INC (US) 2007-01-03 CN 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 SMN1; SMN2 3995/4885RAB9A 2087/4885DUSP3 4326/4885

“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.