SCHEMBL2079328

SCHEMBL2079328

O=C1Nc2ccccc2C1c1nc(NCCc2ccccn2)nc2nn(C3CCCC3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.34
MAOB P27338 1/20 0.33
JAK2 O60674 1/20 0.32
PTK2 Q05397 1/20 0.32
HSD11B1 P28845 1/20 0.32
IGF1R P08069 1/20 0.32
TYRO3 Q06418 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
CYP1A2 P05177 2/20 0.31
PIK3CA P42336 1/20 0.31
FGFR1 P11362 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2077477 0.89 PTK2 (0.38) OGAALDH1A1TSHRPTK2IGF1R
SCHEMBL2078234 0.89 OGA (0.32) OGAALDH1A1TSHRPTK2IGF1R
SCHEMBL2077830 0.86 GSK3B (0.39) OGAALDH1A1JAK2PTK2TYRO3
SCHEMBL2078508 0.84 ADORA2A (0.35) ALDH1A1PTK2HSD11B1IGF1RADORA2A
SCHEMBL2076362 0.84 PDE9A (0.33) ALDH1A1PDE9A
SCHEMBL2076804 0.83 JAK1 (0.34) ALDH1A1TSHRTYRO3PIK3CAPDE9A
SCHEMBL2078595 0.83 PDE9A (0.36) ALDH1A1PDE9A
SCHEMBL2076976 0.83 OPRM1 (0.34) PDE9A
SCHEMBL2078521 0.82 PDE9A (0.36) ALDH1A1PIK3CAPDE9A
SCHEMBL2077546 0.82 PTK2 (0.39) ALDH1A1JAK2PTK2HSD11B1TYRO3

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 10 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
EP-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO 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 OGA 3670/4885ALDH1A1 1266/4885TSHR 1212/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 OGA 4047/4885ALDH1A1 813/4885TSHR 1331/4885

“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.