SCHEMBL19784841

SCHEMBL19784841

C#CCN(Cc1ccccc1)C(C)CCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.53
MAOA P21397 6/20 0.53
TSHR P16473 5/20 0.53
LMNA P02545 3/20 0.53
PYCR1 P32322 3/20 0.53
CYP3A4 P08684 2/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
BLM P54132 1/20 0.51
CYP1A2 P05177 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
ADRA1A P35348 3/20 0.51
ADRA2A P08913 2/20 0.51
CYP2D6 P10635 2/20 0.51
OPRK1 P41145 2/20 0.51
SNCA P37840 1/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL8936161 0.84 MAOB (0.51) MAOBMAOATSHRLMNAPYCR1
SCHEMBL19785046 0.84 TSHR (0.54) MAOBMAOATSHRLMNAPYCR1
SCHEMBL8936156 0.84 MAOB (0.51) MAOBMAOATSHRLMNAPYCR1
SCHEMBL9816888 0.80 BCHE (0.51) TSHRLMNACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL9816864 0.80 BCHE (0.51) TSHRLMNACYP3A4ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9816861 0.78 TSHR (0.50) TSHRLMNACYP3A4ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9816855 0.78 TSHR (0.50) TSHRLMNACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL18756625 0.75 MAOB (0.60) MAOBMAOATSHRLMNACYP3A4
SCHEMBL2476850 0.75 MAOB (0.60) MAOBMAOATSHRLMNACYP3A4
SCHEMBL19113713 0.72 MAOB (0.66) MAOBMAOATSHRLMNAPYCR1

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
CN-109476668-B 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazines and 6, 7-dihydro-4H-triazolo [1,5-a ] pyrazines for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2022-03-22 CN disclosed
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases HOFFMANN LA ROCHE INC. (US) 2020-06-16 US disclosed
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases HOFFMANN LA ROCHE INC. (US) 2020-06-16 US disclosed
EP-3484886-B1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
EP-3484886-B1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
US-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
US-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
WO-2018011163-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 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 (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-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES CYP3A5, RRP15, HAVCR2 MAOB 1068/4885MAOA 2887/4885TSHR 417/4885
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases CYP3A5, RRP15, QDPR MAOB 800/4885MAOA 2403/4885TSHR 373/4885

“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.