Sugi Predict

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SCHEMBL559840

SCHEMBL559840

COC(=O)CNC(=O)c1cnc(N)c(-c2nc3ccc(C)cc3[nH]2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 14/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ FLT3 P36888 1/20 0.45
▸ HPSE Q9Y251 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP8 P22894 2/20 0.40
▸ MMP13 P45452 1/20 0.40

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
SCHEMBL560220 0.90 ATR (0.53) ATRKDM4EALDH1A1HPGDPOLB
SCHEMBL561074 0.90 ATR (0.51) ATRKDM4EALDH1A1HPGDPOLB
SCHEMBL560594 0.89 ATR (0.55) ATRKDM4EALDH1A1HPGDPOLB
SCHEMBL560235 0.88 ATR (0.51) ATRKDM4EALDH1A1HPGDPOLB
SCHEMBL10166538 0.86 ATR (0.57) ATRKDM4EALDH1A1HPGDPOLB
SCHEMBL560074 0.85 ATR (0.52) ATRKDM4EALDH1A1HPGDPOLB
SCHEMBL560124 0.85 ATR (0.52) ATRKDM4EALDH1A1HPGDPOLB
SCHEMBL560628 0.85 ATR (0.54) ATRKDM4EALDH1A1HPGDPOLB
SCHEMBL560937 0.85 ATR (0.55) ATRKDM4EALDH1A1HPGDPOLB
SCHEMBL559812 0.85 ATR (0.51) ATRKDM4EALDH1A1HPGDPOLB

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-8962631-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 — — US disclosed
US-8962631-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 — — US disclosed
US-8962631-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 — — US disclosed
EP-2569289-A1 PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
US-20120035407-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 — — US disclosed
US-20120035407-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 — — US disclosed
US-20120035407-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 — — US disclosed
WO-2011143419-A1 PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — 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 (1 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-20120035407-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 ATR 1/4885KDM4E 2074/4885ALDH1A1 4062/4885

“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.