Sugi Predict

Sugi Predict / Compounds / SCHEMBL16420796

SCHEMBL16420796

SCHEMBL16420796

CC(=O)Nc1ccc(NC(=O)c2cncc(-c3cccnc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 6/20 0.64
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ ABL1 P00519 1/20 0.52
▸ GSK3B P49841 1/20 0.51
▸ SCN2A Q99250 2/20 0.50
▸ SCN10A Q9Y5Y9 2/20 0.50
▸ IRAK4 Q9NWZ3 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAPK1 P28482 1/20 0.50

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
SCHEMBL16420805 0.91 ATR (0.66) ATRALDH1A1ABL1SCN2ASCN10A
SCHEMBL19101060 0.90 MEN1 (0.57) ATRNPC1RAB9AALDH1A1KDM4E
SCHEMBL16420803 0.88 IRAK4 (0.63) ATRNPC1RAB9AABL1GSK3B
SCHEMBL16420793 0.87 ATR (0.64) ATRRAB9ASMN1; SMN2TDP1ABL1
SCHEMBL16420795 0.86 IRAK4 (0.67) ATRNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL16489077 0.85 ATR (0.67) ATRNPC1RAB9AALDH1A1KDM4E
SCHEMBL16420799 0.85 ABL1 (0.50) ATRRAB9AABL1GSK3BSCN2A
SCHEMBL16420806 0.84 ATR (0.70) ATRALDH1A1SMN1; SMN2ABL1IRAK4
SCHEMBL19101121 0.81 SCN2A (0.64) ATRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11192637 0.79 NPC1 (0.65) ATRNPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2018-06-21 — — US disclosed
US-9701674-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-11 — — US disclosed
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-10-27 — — US disclosed
US-9365557-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-02-19 — — US disclosed
US-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-29 — — US 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 (4 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-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885NPC1 4192/4885RAB9A 3002/4885
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885NPC1 4192/4885RAB9A 3002/4885
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885NPC1 4192/4885RAB9A 3002/4885
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885NPC1 4192/4885RAB9A 3002/4885

“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.