SCHEMBL2078508

SCHEMBL2078508

O=C1Nc2ccc(Br)cc2C1c1nc(NCc2ccccn2)nc2nn(C3CCCC3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PTK2 Q05397 5/20 0.34
PTK2B Q14289 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IGF1R P08069 1/20 0.33
USP2 O75604 1/20 0.33
HSD11B1 P28845 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2077546 0.89 PTK2 (0.39) ADORA2AADORA1PTK2PTK2BALDH1A1
SCHEMBL2077224 0.87 NQO2 (0.31) ALDH1A1IGF1RUSP2
SCHEMBL3767222 0.84 NQO2 (0.35) ALDH1A1USP2
Hydrochloric Acid SCHEMBL2076435 0.84 NQO2 (0.34) ALDH1A1USP2
SCHEMBL2079328 0.84 OGA (0.36) ADORA2AADORA1PTK2ALDH1A1NPC1
SCHEMBL2078117 0.83 NQO2 (0.34) ALDH1A1USP2EGFR
SCHEMBL2305299 0.83 FLT3 (0.38) ALDH1A1USP2
SCHEMBL2300439 0.83 FLT3 (0.38) ALDH1A1USP2
SCHEMBL2300436 0.83 FLT3 (0.38) ALDH1A1USP2
SCHEMBL3773462 0.83 NQO2 (0.34) ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP claimed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US claimed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 ADORA2A 25/4885ADORA1 19/4885PTK2 3545/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 ADORA2A 60/4885ADORA1 39/4885PTK2 2528/4885

“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.