Sugi Predict

Sugi Predict / Compounds / SCHEMBL557769

SCHEMBL557769

SCHEMBL557769

Nc1ncc(Br)nc1C#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.44
▸ PLAU P00749 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ADK P55263 2/20 0.42
▸ DHFR P00374 1/20 0.42
▸ APP P05067 1/20 0.41
▸ ATR Q13535 1/20 0.41
▸ GRM5 P41594 4/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL32661059 0.85 GRM5 (0.36) GRM4PLAUADKATRGRM5
SCHEMBL27361849 0.85 GRM5 (0.36) GRM4PLAUADKATRGRM5
SCHEMBL2634342 0.82 PIK3CG (0.46) PLAUDHFRATRGRM5ABL1
SCHEMBL27158140 0.81 GRM5 (0.49) GRM4PLAUMAPTADKGRM5
SCHEMBL27158469 0.81 ADK (0.48) GRM4PLAUMAPTADKDHFR
SCHEMBL1934284 0.80 APP (0.51) ADKAPPNPC1ALDH1A1KMT2A
SCHEMBL15021933 0.78 GRM5 (0.41) MAPTADKDHFRATRGRM5
SCHEMBL8325599 0.74 GRM4 (0.49) GRM4PLAUMAPTADKDHFR
SCHEMBL1934112 0.74 HTT (0.33) ATRKMT2A
SCHEMBL22467599 0.74 ADK (0.45) ADKDHFRMEN1KMT2A

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-9062008-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-23 — — US disclosed
US-9062008-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-23 — — US disclosed
US-9062008-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-23 — — US disclosed
EP-2569286-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2014-08-20 — — EP disclosed
EP-2569286-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2014-08-20 — — EP disclosed
EP-2569286-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 — — US disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 — — US disclosed
WO-2011143423-A2 COMPOUNDS 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-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 GRM4 3748/4885PLAU 4228/4885MAPT 3053/4885

“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.