SCHEMBL17925812

SCHEMBL17925812

CC1Cn2ncc(-c3ccc(F)cn3)c2CN1C(=O)Nc1cc(F)c(F)c(C2CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.34
▸ HCAR2 Q8TDS4 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ ATR Q13535 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ SMO Q99835 1/20 0.31
▸ TRPV1 Q8NER1 3/20 0.31
▸ AR P10275 4/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL17925910 0.92 PDK1 (0.36) CREBBPPDK1PDK2IDO1P2RX7
SCHEMBL17925635 0.92 PDK1 (0.36) CREBBPPDK1PDK2IDO1P2RX7
SCHEMBL17925685 0.91 MCHR1 (0.35) CREBBPMCHR1PDK1PDK2ATR
SCHEMBL17925981 0.89 PDK1 (0.34) MCHR1PDK1PDK2IDO1P2RX7
SCHEMBL17925586 0.88 P2RX7 (0.37) PDK1PDK2IDO1P2RX7BACE1
SCHEMBL17926205 0.87 KMT2A (0.36) PDK1PDK2IDO1P2RX7TRPV1
SCHEMBL17925594 0.82 KIT (0.42) PDK1PDK2P2RX7
SCHEMBL17926003 0.81 AR (0.40) PDK1PDK2ATRP2RX7SMO
SCHEMBL17925547 0.81 CHEK1 (0.37) ATRCHEK1PRKDCATM
SCHEMBL17926253 0.81 GSK3B (0.32) ATRP2RX7BACE1BACE2CHEK1

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 CREBBP 1525/4885HCAR2 1098/4885MCHR1 888/4885
US-20160237090-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CREBBP 687/4885HCAR2 1173/4885MCHR1 982/4885
US-20180334461-A1 NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, NR1H4, ZC3HAV1 CREBBP 687/4885HCAR2 1173/4885MCHR1 982/4885

“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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