Sugi Predict

Sugi Predict / Compounds / SCHEMBL560469

SCHEMBL560469

SCHEMBL560469

Cc1ccc2nc(-c3nc(OC4CCCN(C)C4)cnc3N)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 9/20 0.51
▸ PDGFRB P09619 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ CHEK2 O96017 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ACHE P22303 3/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SSTR2 P30874 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL560275 0.80 ATR (0.48) ATRACHENPC1RAB9AKDM4E
SCHEMBL560436 0.77 ACHE (0.63) ATRFGFR1CHEK2ACHESMN1; SMN2
SCHEMBL10165967 0.75 ATR (0.61) ATRNPC1RAB9AKDM4EALDH1A1
SCHEMBL615441 0.73 ATR (0.59) ATRPDGFRBFGFR1KDRSSTR2
SCHEMBL616833 0.73 ATR (0.49) ATRNPC1RAB9ASSTR2KCNH2
SCHEMBL560098 0.73 ATR (0.53) ATRPDGFRBFGFR1KDRCHEK2
SCHEMBL10290345 0.73 ATR (0.51) ATREGFRNPC1RAB9ASSTR2
SCHEMBL10165965 0.72 ATR (0.52) ATRCHEK2NPC1RAB9AKDM4E
SCHEMBL561015 0.72 ATR (0.52) ATRCHEK2ACHENPC1RAB9A
SCHEMBL616156 0.72 ATR (0.52) ATRNPC1RAB9ASSTR2KCNH2

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 1/4885PDGFRB 1250/4885FGFR1 1904/4885

“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.