Sugi Predict

Sugi Predict / Compounds / SCHEMBL16420786

SCHEMBL16420786

SCHEMBL16420786

O=C(NCCN1CCCCC1)c1cccc(-c2cncc(C(=O)Nc3ccccc3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 5/20 0.71
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ IKBKB O14920 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ EPHX2 P34913 2/20 0.51
▸ ERN1 O75460 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ APP P05067 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ SMYD2 Q9NRG4 1/20 0.48
▸ CAMK2D Q13557 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ CSNK2A3 Q8NEV1 1/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL16420774 0.99 ATR (0.70) ATRMEN1KMT2AIKBKBADORA2A
SCHEMBL16420740 0.91 ATR (0.70) ATRMEN1KMT2AIKBKBEPHX2
SCHEMBL16420761 0.90 ATR (0.69) ATRMEN1KMT2AEPHX2POLB
SCHEMBL20278606 0.84 ATR (0.71) ATRMEN1KMT2AMAP4K4POLB
SCHEMBL2484424 0.83 ATR (1.00) ATR
SCHEMBL19101115 0.82 ATR (0.66) ATRMEN1KMT2A
SCHEMBL2484917 0.82 ATR (1.00) ATR
SCHEMBL16420775 0.81 ATR (0.67) ATRMEN1KMT2A
SCHEMBL28125532 0.80 ATR (0.65) ATRMEN1KMT2AIKBKB
SCHEMBL16420791 0.79 ATR (0.57) ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2018-06-21 — — US disclosed
US-9701674-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-11 — — US disclosed
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-10-27 — — US disclosed
US-9365557-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-02-19 — — US disclosed
US-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-29 — — US 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 (4 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-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885MEN1 2273/4885KMT2A 1708/4885
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885MEN1 2273/4885KMT2A 1708/4885
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885MEN1 2273/4885KMT2A 1708/4885
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885MEN1 2273/4885KMT2A 1708/4885

“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.