SCHEMBL17925858

SCHEMBL17925858

O=C(Nc1cc(F)c(F)c(F)c1)N1CCn2ncc(-c3ccc(F)cc3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 12/20 0.44
▸ CSNK1D P48730 7/20 0.41
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ PRMT5 O14744 2/20 0.40
▸ WDR77 Q9BQA1 2/20 0.40
▸ WNT1 P04628 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ GPR142 Q7Z601 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL17925912 0.93 CSNK1E (0.42) CSNK1ECSNK1DHDAC1HDAC2PRMT5
SCHEMBL17925970 0.93 CSNK1E (0.41) CSNK1ECSNK1DGPR142
SCHEMBL17925682 0.91 CSNK1E (0.44) CSNK1ECSNK1DPRMT5WDR77WNT1
SCHEMBL17925979 0.91 CSNK1E (0.54) CSNK1ECSNK1DHDAC1HDAC2PRMT5
SCHEMBL17926142 0.91 CSNK1E (0.39) CSNK1ECSNK1DHDAC1HDAC2PRMT5
SCHEMBL17926265 0.90 KMT2A (0.49) CSNK1ECSNK1DGPR142NPC1RAB9A
SCHEMBL17925631 0.89 CSNK1E (0.44) CSNK1ECSNK1DPRMT5WDR77WNT1
SCHEMBL17926085 0.88 CSNK1E (0.45) CSNK1ECSNK1D
SCHEMBL17925793 0.88 CSNK1E (0.45) CSNK1ECSNK1DGPR142
SCHEMBL17926341 0.88 CSNK1E (0.46) CSNK1ECSNK1DPRMT5WDR77WNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890167-B2 Pyrazine compounds for the treatment of infectious diseases HOFFMANN-LA ROCHE INC. (US) 2018-02-13 — — US claimed
EP-3245206-A1 PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. Hoffmann-La Roche AG (CH) 2017-11-22 — — EP claimed
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2016-08-18 — — US claimed
WO-2016113273-A1 PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2016-07-21 — — WO claimed
US-11168086-B2 Methods of synthesizing pyrazine compounds HOFFMANN-LA ROCHE INC. (US) 2021-11-09 — — US disclosed
US-11168086-B2 Methods of synthesizing pyrazine compounds HOFFMANN-LA ROCHE INC. (US) 2021-11-09 — — US disclosed
US-20180334461-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2018-11-22 — — US disclosed
US-9890167-B2 Pyrazine compounds for the treatment of infectious diseases HOFFMANN-LA ROCHE INC. (US) 2018-02-13 — — US disclosed
US-9890167-B2 Pyrazine compounds for the treatment of infectious diseases HOFFMANN-LA ROCHE INC. (US) 2018-02-13 — — US disclosed
EP-3245206-A1 PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. Hoffmann-La Roche AG (CH) 2017-11-22 — — EP disclosed
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2016-08-18 — — US disclosed
WO-2016113273-A1 PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2016-07-21 — — WO disclosed
WO-2016113273-A1 PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2016-07-21 — — 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 (3 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-11168086-B2 Methods of synthesizing pyrazine compounds CYP3A5, HAVCR2, HCCS CSNK1E 3861/4885CSNK1D 4194/4885HDAC1 614/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CSNK1E 3195/4885CSNK1D 3503/4885HDAC1 443/4885
US-20180334461-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CSNK1E 3195/4885CSNK1D 3503/4885HDAC1 443/4885

“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.

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