SCHEMBL560241

SCHEMBL560241

Nc1ncc(Br)nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.68
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
HPGD P15428 3/20 0.56
PRKDC P78527 1/20 0.56
ATM Q13315 1/20 0.56
CDK1 P06493 2/20 0.53
CDK2 P24941 2/20 0.53
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
PDPK1 O15530 1/20 0.53
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TP53 P04637 2/20 0.53
ABCB11 O95342 1/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 2/20 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
SCHEMBL13354021 0.84 ATR (0.67) ATRALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL2484717 0.81 ATR (1.00) ATRPRKDCATMCDK1CDK2
SCHEMBL4009740 0.80 METAP2 (0.51) ATR
SCHEMBL560162 0.80 ATR (0.60) ATRALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL4045369 0.80 ATR (0.46) ATRPRKDCATMCDK1CDK2
SCHEMBL1900530 0.80 CDK1 (0.65) ATRALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL560251 0.79 ATR (0.64) ATRALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL559766 0.78 ATR (0.63) ATRALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL4039745 0.78 CBFB (0.47) ATRALDH1A1HPGDPRKDCATM
SCHEMBL4050888 0.77 NPBWR1 (0.46) ATRPDPK1

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 74 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
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
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 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 1/4885ALDH1A1 3775/4885SMN1; SMN2 1901/4885
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ALDH1A1 3961/4885SMN1; SMN2 1764/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ALDH1A1 3961/4885SMN1; SMN2 1764/4885

“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.