Sugi Predict

Sugi Predict / Compounds / SCHEMBL615185

SCHEMBL615185

SCHEMBL615185

CCS(=O)(=O)N1CCN(c2cnc(N)c(-c3ncc(-c4ccccc4)o3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 10/20 0.54
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CKS1B P61024 4/20 0.42
▸ SKP1 P63208 4/20 0.42
▸ SKP2 Q13309 4/20 0.42
▸ HSD17B10 Q99714 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PRKDC P78527 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
SCHEMBL615700 0.87 ATR (0.61) ATRGSK3BPRKDC
SCHEMBL617515 0.84 ATR (0.54) ATRKDM4EALDH1A1MAPTMEN1
SCHEMBL617614 0.81 ATR (0.56) ATRKDM4EALDH1A1MAPTMEN1
SCHEMBL617636 0.79 ATR (0.55) ATRGSK3BPRKDC
SCHEMBL614778 0.79 MEN1 (0.47) ATRKDM4EALDH1A1MAPTMEN1
SCHEMBL10255889 0.79 ATR (0.56) ATRPRMT5GSK3BPRKDC
SCHEMBL10255200 0.79 ATR (0.51) ATRKDM4EALDH1A1MAPTGSK3B
SCHEMBL615189 0.78 KDM4E (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2497637 0.78 ATR (0.46) ATRKDM4EALDH1A1MAPTRAB9A
SCHEMBL2491689 0.78 ATR (0.46) ATRKDM4EALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-24 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
EP-2370424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-05 — — EP disclosed
WO-2010054398-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 — — 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 (2 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-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 ATR 1/4885KDM4E 2868/4885ALDH1A1 3958/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 ATR 1/4885KDM4E 2868/4885ALDH1A1 3958/4885

“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.