Sugi Predict

Sugi Predict / Compounds / SCHEMBL560959

SCHEMBL560959

SCHEMBL560959

Cc1ccc2nc(-c3nc(C#CCN(C)C)cnc3N)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 9/20 0.50
▸ ACHE P22303 2/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ HPGD P15428 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ METAP2 P50579 2/20 0.40
▸ METAP1 P53582 2/20 0.40
▸ CBFB Q13951 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ RECQL P46063 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
SCHEMBL560114 0.87 ATR (0.52) ATRNPC1RAB9AKDM4EALDH1A1
SCHEMBL560816 0.85 ATR (0.50) ATRACHENPC1RAB9AKDM4E
SCHEMBL560527 0.82 ATR (0.52) ATRNPC1RAB9AKDM4EALDH1A1
SCHEMBL560357 0.82 ATR (0.59) ATRNPC1RAB9AKDM4EALDH1A1
SCHEMBL560894 0.82 ATR (0.52) ATRKDM4EALDH1A1MAPTHPGD
SCHEMBL560093 0.78 ATR (0.48) ATRACHENPC1RAB9AKDM4E
SCHEMBL10165967 0.77 ATR (0.61) ATRNPC1RAB9AKDM4EALDH1A1
SCHEMBL560162 0.76 ATR (0.60) ATRNPC1RAB9AKDM4EALDH1A1
SCHEMBL10166758 0.75 ATR (0.59) ATRNPC1RAB9AKDM4EALDH1A1
SCHEMBL560805 0.73 ATR (0.48) ATRACHENPC1RAB9AKDM4E

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 1/4885ACHE 3906/4885NPC1 4143/4885

“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.