SCHEMBL2387709

SCHEMBL2387709

Nc1ncc(Br)nc1-c1nc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.56
ATR Q13535 2/20 0.56
PRKDC P78527 1/20 0.56
NPC1 O15118 8/20 0.50
RAB9A P51151 7/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MET P08581 4/20 0.49
TP53 P04637 7/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 5/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 6/20 0.44
PKM P14618 3/20 0.44
HCRTR1 O43613 1/20 0.44

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
SCHEMBL12257015 0.84 ATM (0.58) ATMATRPRKDCNPC1RAB9A
SCHEMBL1802082 0.84 MET (0.42) ATMATRPRKDCNPC1RAB9A
SCHEMBL13138764 0.81 ATR (0.72) ATMATRPRKDCNPC1RAB9A
SCHEMBL2386819 0.80 MET (0.43) ATMATRPRKDCNPC1RAB9A
SCHEMBL2386939 0.80 NPC1 (0.56) ATMATRPRKDCNPC1RAB9A
SCHEMBL2384707 0.77 MET (0.63) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL29531707 0.74 NPC1 (0.69) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL824375 0.74 NPC1 (0.69) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL24038266 0.73 ALDH1A1 (0.59) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL560532 0.73 ATR (0.74) ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3157566-B1 METHOD FOR TREATING CANCER USING A COMBINATION OF CHK1 AND ATR INHIBITORS VERTEX PHARMA (US) 2019-05-01 EP disclosed
EP-3354650-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2018-08-01 EP disclosed
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2018-06-21 US disclosed
EP-3311816-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER Vertex Pharmaceuticals Incorporated (US) 2018-04-25 EP disclosed
EP-2376485-B1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2017-12-06 EP disclosed
EP-2833973-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF VERTEX PHARMA (US) 2017-09-13 EP disclosed
US-9701674-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-11 US disclosed
US-9701674-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-11 US disclosed
WO-2013152298-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-10 WO disclosed
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
CN-101910158-A Pyridine and pyrazine derivatives useful in the treatment of cell proliferative disorders ASTRAZENECA AB 2010-12-08 CN 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
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
WO-2010071837-A1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 WO disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 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-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATM 39/4885ATR 1/4885PRKDC 23/4885
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATM 39/4885ATR 1/4885PRKDC 23/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 ATM 2075/4885ATR 1304/4885PRKDC 1836/4885

“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.