SCHEMBL19785046

SCHEMBL19785046

C#CCN(Cc1ccccc1)C(C)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
GAA P10253 1/20 0.54
NPBWR1 P48145 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MCHR1 Q99705 1/20 0.54
MAOB P27338 9/20 0.53
MAOA P21397 7/20 0.53
PYCR1 P32322 3/20 0.53
LMNA P02545 2/20 0.53
USP2 O75604 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 1/20 0.51
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
ADRA1A P35348 2/20 0.51
OPRK1 P41145 2/20 0.51

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
SCHEMBL6054336 0.84 TSHR (0.51) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL1834931 0.84 TSHR (0.51) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL1834929 0.84 TSHR (0.51) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL19784841 0.84 MAOB (0.53) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL8936171 0.84 MAOB (0.51) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL8936167 0.84 MAOB (0.51) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL9816880 0.80 BCHE (0.51) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL9816883 0.80 BCHE (0.51) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL3931095 0.78 SIGMAR1 (0.53) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL9841066 0.77 CYP2C19 (0.49) TSHRGAANPBWR1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115806561-A JAK3 selective inhibitors and uses thereof 南京药石科技股份有限公司 2023-03-17 CN disclosed
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 TSHR 417/4885GAA 3009/4885NPBWR1 933/4885
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases CYP3A5, RRP15, QDPR TSHR 373/4885GAA 2782/4885NPBWR1 1063/4885

“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.