Immepip

Immepip

SCHEMBL6354845

Br.Br.c1nc(CC2CCNCC2)c[nH]1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Immepip. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 4/20 0.38
HRH3 Q9Y5N1 7/20 0.47
HRH4 Q9H3N8 4/20 0.45
GBA1 P04062 1/20 0.42
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CACNA1H O95180 1/20 0.33
TDP1 Q9NUW8 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
Immepip SCHEMBL6347746 0.98 HRH3 (0.46) HRH3HRH4GBA1SLC6A4JAK2
Immepip SCHEMBL6605805 0.96 HRH3 (0.45) HRH3HRH4GBA1SLC6A4JAK2
SCHEMBL8515210 0.88 HRH3 (0.49) HRH3HRH4GBA1SLC6A4
SCHEMBL28079718 0.87
SCHEMBL14307810 0.83 HRH4 (0.42) HRH3HRH4
SCHEMBL6449281 0.81 HRH4 (0.44) HRH3HRH4
SCHEMBL6353897 0.81 HRH3 (0.49) HRH3HRH4GBA1SLC6A4
Bromide SCHEMBL15130221 0.80 HRH3 (0.50) HRH3HRH4SLC6A4
SCHEMBL14143044 0.79 HRH3 (0.35) HRH3HRH4
SCHEMBL14140514 0.79 HRH3 (0.32) HRH3HRH4

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
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
US-6951944-B2 Production of imidazole derivatives and novel intermediates of the derivatives AZWELL INC. (JP) 2005-10-04 US disclosed
US-20050043277-A1 Production of imidazole derivatives and novel intermediates of the derivatives AZWELL INC. (JP) 2005-02-24 US disclosed
EP-1477487-A1 IMPROVEMENT IN THE PRODUCTION OF IMIDAZOLE DERIVATIVES AND NOVEL INTERMEDIATES OF THE DERIVATIVES Azwell Inc. (JP) 2004-11-17 EP 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 (6 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 SLC6A4 4534/4885HRH3 681/4885HRH4 94/4885
US-20050043277-A1 Production of imidazole derivatives and novel intermediates of the derivatives HRH3, HRH4, HRH2 SLC6A4 2892/4885HRH3 1/4885HRH4 2/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 SLC6A4 4534/4885HRH3 681/4885HRH4 94/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 SLC6A4 4526/4885HRH3 774/4885HRH4 103/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X SLC6A4 2236/4885HRH3 548/4885HRH4 25/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 SLC6A4 4566/4885HRH3 601/4885HRH4 74/4885

“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.