Sugi Predict

Sugi Predict / Compounds / SCHEMBL560973

SCHEMBL560973

SCHEMBL560973

Cc1ccc2nc(-c3nc(C(=O)NCC4CCCCC4)cnc3N)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.57
▸ ATR Q13535 10/20 0.53
▸ LDLR P01130 1/20 0.47
▸ FLT3 P36888 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CHEK2 O96017 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PRSS12 P56730 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
SCHEMBL560802 0.99 CNR1 (0.56) CNR1ATRLDLRFLT3NPC1
SCHEMBL559810 0.95 CNR1 (0.55) CNR1ATRLDLRFLT3KDM4E
SCHEMBL561234 0.86 MEN1 (0.51) ATRNPC1RAB9AKDM4EALDH1A1
SCHEMBL559835 0.85 ATR (0.53) CNR1ATRFLT3NPC1RAB9A
SCHEMBL560851 0.83 ATR (0.53) CNR1ATRFLT3NPC1RAB9A
SCHEMBL560220 0.83 ATR (0.53) ATRFLT3NPC1RAB9ACHEK2
SCHEMBL10166538 0.83 ATR (0.57) CNR1ATRFLT3KDM4EALDH1A1
SCHEMBL560074 0.82 ATR (0.52) ATRFLT3KDM4EALDH1A1POLB
SCHEMBL560124 0.82 ATR (0.52) ATRFLT3KDM4EALDH1A1POLB
SCHEMBL560242 0.81 ATR (0.51) ATRFLT3NPC1RAB9AKDM4E

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 CNR1 4047/4885ATR 1/4885LDLR 3699/4885

“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.