SCHEMBL617342

SCHEMBL617342

Nc1ncc(Br)nc1-c1noc(-c2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.66
ATM Q13315 2/20 0.56
PRKDC P78527 1/20 0.56
NR1H4 Q96RI1 2/20 0.54
SMN1; SMN2 Q16637 9/20 0.49
RAB9A P51151 7/20 0.49
TP53 P04637 6/20 0.49
NPC1 O15118 5/20 0.49
PKM P14618 2/20 0.49
MAPT P10636 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
KLF5 Q13887 1/20 0.47
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46

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
SCHEMBL13346561 0.87 ATR (0.64) ATRATMPRKDCNR1H4SMN1; SMN2
SCHEMBL1369224 0.80 CSNK1A1 (0.46) ATRSMN1; SMN2TP53PKMMAPT
SCHEMBL2503969 0.80 ATR (1.00) ATRATMPRKDCSMN1; SMN2RAB9A
SCHEMBL28398899 0.80 ATR (0.70) ATRATMPRKDCNR1H4SMN1; SMN2
SCHEMBL560532 0.79 ATR (0.74) ATR
SCHEMBL12630050 0.78 NR1H4 (0.58) ATRATMPRKDCNR1H4SMN1; SMN2
SCHEMBL2486722 0.78 ATR (0.71) ATRATMPRKDCNR1H4
SCHEMBL27836772 0.77 ATR (0.57) ATRATMPRKDCNR1H4SMN1; SMN2
SCHEMBL16758375 0.77 RAB9A (0.54) ATRNR1H4SMN1; SMN2RAB9ATP53
SCHEMBL10178246 0.77 ATR (0.60) ATRATMPRKDCSMN1; SMN2RAB9A

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 US disclosed
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 US disclosed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed
EP-3354650-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2022-02-16 EP disclosed
EP-3354650-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2022-02-16 EP disclosed
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 US disclosed
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 US disclosed
CN-106496209-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2020-06-30 CN disclosed
CN-106496210-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2020-06-09 CN disclosed
CN-102300862-A Compounds useful as inhibitors of ATR kinase 2011-12-28 CN disclosed
EP-2376485-A1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-19 EP disclosed
EP-2370424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-05 EP disclosed
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 US disclosed
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 US disclosed
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 US disclosed
WO-2010071837-A1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 WO disclosed
WO-2010071837-A1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 WO disclosed
WO-2010054398-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 WO disclosed
WO-2010054398-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 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 (3 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-10961232-B2 Substituted pyrazines as ATR kinase inhibitors ATR, MAP3K5, CHEK1 ATR 1/4885ATM 41/4885PRKDC 29/4885
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 39/4885PRKDC 23/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 39/4885PRKDC 23/4885

“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.