SCHEMBL12467196

SCHEMBL12467196

N[C@@](C(=O)O)(c1cc(Br)ccc1F)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
DGAT1 O75907 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.35
KDM1A O60341 4/20 0.35
KDM1B Q8NB78 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NOTUM Q6P988 1/20 0.34
RAB9A P51151 3/20 0.33
EPHX1 P07099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
RBP4 P02753 1/20 0.33
PTGDR Q13258 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL14903792 1.00 KMT2A (0.42) KMT2AMEN1CYP1A2CYP2C19DGAT1
SCHEMBL10081943 0.82 SMN1; SMN2 (0.34) KMT2AMEN1DGAT1SMN1; SMN2PTGDR2
SCHEMBL14889830 0.76 DGAT1 (0.42) KMT2ACYP1A2CYP2C19DGAT1SMN1; SMN2
SCHEMBL1173288 0.76 DGAT1 (0.42) KMT2ACYP1A2CYP2C19DGAT1SMN1; SMN2
SCHEMBL246150 0.76 DGAT1 (0.42) KMT2ACYP1A2CYP2C19DGAT1SMN1; SMN2
SCHEMBL1172948 0.76 KDM1A (0.35) DGAT1SMN1; SMN2KDM1AKDM1BAAK1
SCHEMBL1172949 0.76 KDM1A (0.35) DGAT1SMN1; SMN2KDM1AKDM1BAAK1
SCHEMBL874899 0.76 KDM1A (0.35) DGAT1SMN1; SMN2KDM1AKDM1BAAK1
Hydrochloric Acid SCHEMBL15261187 0.75 DGAT1 (0.41) KMT2ACYP1A2CYP2C19DGAT1SMN1; SMN2
SCHEMBL7534534 0.74 MEN1 (0.50) KMT2AMEN1CYP1A2CYP2C19KDM1A

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
EP-2619207-B1 4,7-Dihydro-pyrazolo[1,5-a]pyrazin-6-ylamine derivatives useful as inhibitors of beta secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2014-11-12 EP disclosed
US-8609660-B2 4,7-dihydro-pyrazolo[1,5-a]pyrazin-6-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2013-12-17 US disclosed
EP-2619207-A1 4,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-6-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica, N.V. (BE) 2013-07-31 EP disclosed
US-20130190318-A1 4,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-6-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-07-25 US disclosed
WO-2012038438-A1 4,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-6-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-03-29 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-20130190318-A1 4,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-6-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 KMT2A 1700/4885MEN1 602/4885CYP1A2 2809/4885

“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.