SCHEMBL4771344

SCHEMBL4771344

COc1cccc(Cn2cc(C=O)cn2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
CMA1 P23946 1/20 0.50
CD74 P04233 1/20 0.48
MIF P14174 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
LPO P22079 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KLKB1 P03952 1/20 0.45
GPR55 Q9Y2T6 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 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
SCHEMBL17094871 0.86 MEN1 (0.47) MEN1KMT2AKDM4CKLKB1TUBB4A
SCHEMBL5778472 0.85 MEN1 (0.50) MEN1KMT2ACMA1KDM4CLMNA
SCHEMBL17094867 0.83 L3MBTL1 (0.50) MEN1KMT2ACMA1MAPTADORA2A
SCHEMBL15653778 0.80 CD74 (0.54) CD74MIFLMNAMAPTTAS2R8
SCHEMBL4771623 0.80 SCD (0.50) LMNAADORA2AADORA2BADORA1L3MBTL1
SCHEMBL17094884 0.80 MEN1 (0.49) MEN1KMT2ALMNAMAPTKLKB1
SCHEMBL1703266 0.80 MEN1 (1.00) MEN1KMT2ACMA1CD74MIF
SCHEMBL13736942 0.80 KMT2A (0.71) MEN1KMT2ACMA1CD74MIF
SCHEMBL29715635 0.80 MEN1 (1.00) MEN1KMT2ACMA1CD74MIF
SCHEMBL20658807 0.78 L3MBTL1 (0.55) KDM4CADORA2AADORA1KLKB1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
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 (2 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 MEN1 4726/4885KMT2A 1806/4885CMA1 785/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK MEN1 1218/4885KMT2A 1345/4885CMA1 942/4885

“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.