SCHEMBL17925547

SCHEMBL17925547

CC1Cn2ncc(-c3ccc(F)cc3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.37
▸ ATR Q13535 2/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ WNT1 P04628 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ S1PR2 O95136 3/20 0.35
▸ PAX8 Q06710 1/20 0.34
▸ KIT P10721 4/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 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
SCHEMBL17926130 0.89 PDK2 (0.35) GSK3BALDH1A1HDAC1HDAC2
SCHEMBL17925635 0.88 PDK1 (0.36) —
SCHEMBL17925910 0.88 PDK1 (0.36) —
SCHEMBL17925952 0.87 KIT (0.43) MTORKCNH2ALDH1A1KITKMT2A
SCHEMBL17926052 0.87 KIT (0.43) MTORKCNH2ALDH1A1KITKMT2A
SCHEMBL17925866 0.87 KIT (0.43) MTORKCNH2ALDH1A1KITKMT2A
SCHEMBL28357389 0.87 CSNK1D (0.43) WNT1GSK3BDYRK1AALDH1A1PAX8
SCHEMBL17926253 0.86 GSK3B (0.32) CHEK1ATRMTORPRKDCKCNH2
SCHEMBL17926119 0.86 GRM5 (0.41) CHEK1ATRMTORPRKDCKCNH2
SCHEMBL17925887 0.85 AR (0.40) —

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 CHEK1 3660/4885ATR 3327/4885MTOR 2468/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CHEK1 3886/4885ATR 3979/4885MTOR 2005/4885
US-20180334461-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CHEK1 3886/4885ATR 3979/4885MTOR 2005/4885

“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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