SCHEMBL2076889

SCHEMBL2076889

O=C1Nc2ccc(C(F)(F)F)cc2C1c1nc(Cl)nc2nn(C3CCCC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
JUN P05412 2/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE9A O76083 1/20 0.31
MPO P05164 1/20 0.31
CTSK P43235 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 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
SCHEMBL2077521 0.88 PDE9A (0.40) KMT2AMEN1PDE9A
SCHEMBL2076085 0.88 KMT2A (0.37) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL2076197 0.86 USP2 (0.33) ALDH1A1MAPTPDE9A
SCHEMBL2077963 0.85 KRAS (0.36) KMT2AMEN1PDE9A
SCHEMBL2078201 0.85 ABL1 (0.40) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL2075439 0.85 ABL1 (0.41) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL3767477 0.84 KMT2A (0.34) KMT2AMEN1PDE9AMPO
SCHEMBL2078652 0.84 PDE9A (0.35) PDE9A
SCHEMBL13007213 0.84 PDE9A (0.31) PDE9A
SCHEMBL2075455 0.84 AURKA (0.44) ALDH1A1MAPTPDE9A

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 KMT2A 3404/4885MEN1 3848/4885JUN 2350/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 KMT2A 3587/4885MEN1 3595/4885JUN 2683/4885

“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.