SCHEMBL874899

SCHEMBL874899

N[C@@](CO)(c1cc(Br)ccc1F)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.35
KDM1B Q8NB78 1/20 0.34
DGAT1 O75907 1/20 0.33
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
USP28 Q96RU2 1/20 0.31
USP25 Q9UHP3 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
TRPV3 Q8NET8 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
SCHEMBL1172949 1.00 KDM1A (0.35) KDM1AKDM1BDGAT1CASP1SMN1; SMN2
SCHEMBL1172948 1.00 KDM1A (0.35) KDM1AKDM1BDGAT1CASP1SMN1; SMN2
SCHEMBL16229519 0.82 KDM1A (0.33) KDM1AKDM1B
SCHEMBL361762 0.77 DGAT1 (0.38) KDM1AKDM1BDGAT1CASP1SMN1; SMN2
SCHEMBL12467196 0.76 KMT2A (0.42) KDM1AKDM1BDGAT1SMN1; SMN2AAK1
SCHEMBL14903792 0.76 KMT2A (0.42) KDM1AKDM1BDGAT1SMN1; SMN2AAK1
SCHEMBL247850 0.76 DGAT1 (0.37) KDM1AKDM1BDGAT1CASP1PTPN7
SCHEMBL1173372 0.76 DGAT1 (0.37) KDM1AKDM1BDGAT1CASP1PTPN7
SCHEMBL1173257 0.76 DGAT1 (0.37) KDM1AKDM1BDGAT1CASP1PTPN7
SCHEMBL16077142 0.75 KDM1A (0.37) KDM1AKDM1BDGAT1PTPN7DUSP3

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 KDM1A 3522/4885KDM1B 2902/4885DGAT1 3155/4885

“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.