SCHEMBL2075490

SCHEMBL2075490

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PDE9A O76083 2/20 0.31

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 0.89 KMT2A (0.34) KMT2AMEN1PDE9A
Hydrochloric Acid SCHEMBL2078367 0.88 KMT2A (0.34) KMT2AMEN1PDE9A
SCHEMBL2076085 0.88 KMT2A (0.37) KMT2AMEN1PDE9A
SCHEMBL2078487 0.88 CDK2 (0.34) KMT2AMEN1PDE9A
SCHEMBL2076097 0.88 KMT2A (0.33) KMT2AMEN1PDE9A
SCHEMBL3762462 0.88 KMT2A (0.33) KMT2AMEN1PDE9A
SCHEMBL2077683 0.87 PDE9A (0.38) KMT2AMEN1PDE9A
Hydrochloric Acid SCHEMBL2077008 0.87 KMT2A (0.33) KMT2AMEN1PDE9A
SCHEMBL3767007 0.86 KMT2A (0.33) KMT2AMEN1PDE9A
SCHEMBL2076976 0.86 OPRM1 (0.34) PDE9A

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 KMT2A 3404/4885MEN1 3848/4885PDE9A 2783/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 KMT2A 3587/4885MEN1 3595/4885PDE9A 1977/4885

“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.