SCHEMBL7517838

SCHEMBL7517838

Cn1ncc(N)c1C(=O)N1CC(F)(F)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.42
CDK8 P49336 6/20 0.42
PDE10A Q9Y233 1/20 0.41
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
RIPK1 Q13546 2/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 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
SCHEMBL26299049 0.83 PDE10A (0.42) CCNCCDK8PDE10AKMT2AATM
SCHEMBL30695456 0.82 L3MBTL1 (0.50) CCNCCDK8PDE10APOLBL3MBTL1
SCHEMBL7515096 0.80 KMT2A (0.46) PDE10AKMT2AATMKDM4EPOLB
SCHEMBL7456708 0.80 KMT2A (0.46) CCNCCDK8PDE10AKMT2AATM
SCHEMBL7516987 0.79 PDE10A (0.41) PDE10AKMT2AATMKDM4EPOLB
SCHEMBL7515740 0.78 KMT2A (0.45) KMT2AATMKDM4EPOLBPKM
SCHEMBL11889069 0.78 SPR (0.39) CCNCCDK8PDE10AKMT2ARIPK1
SCHEMBL7514360 0.76 SMN1; SMN2 (0.50) PDE10AKMT2AATMKDM4EL3MBTL1
SCHEMBL30695410 0.72 CCNC (0.44) CCNCCDK8
SCHEMBL2099625 0.71 ALDH1A1 (0.42) KDM4EL3MBTL1

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-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP claimed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US claimed
US-8623866-B2 2014-01-07 US claimed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 US claimed
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 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 (1 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-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A CCNC 2230/4885CDK8 2622/4885PDE10A 1/4885

“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.