SCHEMBL2078487

SCHEMBL2078487

CN(C)CCNc1nc(C2C(=O)Nc3ccc(C(F)(F)F)cc32)c2cn(C3CCCC3)nc2n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SYK P43405 1/20 0.32
KIF11 P52732 1/20 0.31
SRC P12931 1/20 0.31
BRAF P15056 1/20 0.30
DGAT1 O75907 1/20 0.30
PDE9A O76083 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
SCHEMBL3767477 0.91 KMT2A (0.34) KMT2AMEN1DGAT1PDE9A
Hydrochloric Acid SCHEMBL2078367 0.90 KMT2A (0.34) KMT2AMEN1PDE9A
SCHEMBL3767007 0.90 KMT2A (0.33) KMT2AMEN1DGAT1PDE9A
SCHEMBL3762462 0.89 KMT2A (0.33) KMT2AMEN1SYKPDE9A
Hydrochloric Acid SCHEMBL2075702 0.89 KMT2A (0.32) KMT2AMEN1
Hydrochloric Acid SCHEMBL2077008 0.89 KMT2A (0.33) KMT2AMEN1SYKPDE9A
SCHEMBL2077472 0.89 PDE9A (0.35) SRCPDE9A
SCHEMBL2078117 0.89 NQO2 (0.34) SRC
SCHEMBL2078093 0.88 DGAT1 (0.35) KMT2AMEN1DGAT1
SCHEMBL2076085 0.88 KMT2A (0.37) KMT2AMEN1DGAT1PDE9A

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 CDK2 34/4885CSNK1A1 1823/4885CSNK1D 1862/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 CDK2 35/4885CSNK1A1 1162/4885CSNK1D 1076/4885

“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.