SCHEMBL12496958

SCHEMBL12496958

C[C@@]1(c2cccc(NC(=O)c3ncc(Cl)cc3Cl)c2)Cn2nccc2C(N)=N1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.68
BACE2 Q9Y5Z0 4/20 0.68
KCNH1 O95259 1/20 0.68
KCNH2 Q12809 1/20 0.68
CYP2D6 P10635 2/20 0.52
APP P05067 2/20 0.46

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
SCHEMBL17210677 1.00 BACE1 (0.68) BACE1BACE2KCNH1KCNH2CYP2D6
SCHEMBL15400001 1.00 BACE1 (0.68) BACE1BACE2KCNH1KCNH2CYP2D6
SCHEMBL17210691 0.89 BACE1 (0.79) BACE1BACE2KCNH1KCNH2
SCHEMBL17200055 0.86 BACE1 (0.64) BACE1BACE2KCNH1KCNH2CYP2D6
SCHEMBL17210703 0.86 BACE1 (0.64) BACE1BACE2KCNH1KCNH2CYP2D6
SCHEMBL12496806 0.86 BACE1 (0.64) BACE1BACE2KCNH1KCNH2CYP2D6
SCHEMBL12496813 0.85 BACE1 (0.57) BACE1BACE2KCNH1KCNH2CYP2D6
SCHEMBL12496722 0.85 BACE1 (0.57) BACE1BACE2KCNH1KCNH2CYP2D6
SCHEMBL17210695 0.85 BACE1 (0.57) BACE1BACE2KCNH1KCNH2CYP2D6
SCHEMBL12496846 0.81 BACE1 (1.00) BACE1BACE2KCNH1KCNH2APP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346811-B2 6,7-dihydro-pyrazolo[1,5-a]pyrazin-4-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-05-24 US disclosed
EP-2681219-B1 6,7-DIHYDRO-PYRAZOLO[1,5-A]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2015-10-28 EP disclosed
EP-2681219-A1 6,7-DIHYDRO-PYRAZOLO[1,5-A]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica, N.V. (BE) 2014-01-08 EP disclosed
US-20140005200-A1 6,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2014-01-02 US disclosed
WO-2012117027-A1 6,7-DIHYDRO-PYRAZOLO[1,5-A]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-09-07 WO 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-20140005200-A1 6,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 1/4885KCNH1 3330/4885

“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.