SCHEMBL19472425

SCHEMBL19472425

O=C(O)c1cc(F)cnc1-n1nccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ASPH Q12797 3/20 0.43
KDM8 Q8N371 2/20 0.43
HCAR2 Q8TDS4 1/20 0.38
KEAP1 Q14145 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 4/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
OPRK1 P41145 1/20 0.35
MYC P01106 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL30361760 1.00 KDM4E (0.43) KDM4EASPHKDM8HCAR2KEAP1
SCHEMBL19472423 0.82 KDM4E (0.37) KDM4EASPHKDM8HCAR2KEAP1
SCHEMBL19472424 0.81 OPRK1 (0.54) OPRK1
SCHEMBL29424961 0.79 GABRP (0.39) KDM4EASPHKDM8HCAR2NAPRT
SCHEMBL1672011 0.79 HCRTR1 (0.45) KDM4EHCAR2HCRTR1HCRTR2MYC
SCHEMBL30361654 0.79 ALDH1A1 (0.39) KDM4EASPHKDM8HCAR2HCRTR1
SCHEMBL19480838 0.79 ALDH1A1 (0.39) KDM4EASPHKDM8HCAR2HCRTR1
SCHEMBL17571439 0.79 SCN10A (0.44) ASPHHCRTR1AGBL2
SCHEMBL19472426 0.77 HPGD (0.43) KDM4EOPRK1
SCHEMBL19472427 0.76 NOTUM (0.40) KDM4EASPHKDM8KEAP1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997660-B N- [ (pyrimidinylamino) propyl ] -, N- [ (pyridylamino) propyl ] -and N- [ (pyrazinylamino) propyl ] aryl carboxamides 勃林格殷格翰国际有限公司 2023-04-28 CN disclosed
US-11236072-B2 N-[(pyrimidinylamino)propanyl]-,n-[pyridylamino)propanyl]- and n-[(pyrazinylaminol)propanyl]arylcarboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-01 US disclosed
EP-3661928-B1 N-[(PYRIMIDINYLAMINO)PROPANYL]-, N-[(PYRIDYLAMINO)PROPANYL]- AND N-[(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2021-06-16 EP disclosed
EP-3442965-B1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2021-05-26 EP disclosed
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-11 US disclosed
US-20200231575-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-,N-[PYRIDYLAMINO)PROPANYL]- AND N-[(PYRAZINYLAMINOL)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-07-23 US disclosed
EP-3442964-B1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
CN-110997660-A Novel N- [ (pyrimidinylamino) propyl ] -, N- [ (pyridinylamino) propyl ] -and N- [ (pyrazinylamino) propyl ] arylcarboxamides 勃林格殷格翰国际有限公司 2020-04-10 CN disclosed
US-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-18 US disclosed
WO-2019025275-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-, N-[(PYRIDYLAMINO)PROPANYL] - AND N-[(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-07 WO disclosed
US-9884854-B2 N-[(pyrimidinylamino)propanyl]-and N[(pyrazinylamino)proppanyl]arylcarboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-06 US disclosed
US-9884854-B2 N-[(pyrimidinylamino)propanyl]-and N[(pyrazinylamino)proppanyl]arylcarboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-06 US disclosed
WO-2017178344-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-19 WO disclosed
US-20170298053-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GHBH (DE) 2017-10-19 US disclosed
US-20170298053-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GHBH (DE) 2017-10-19 US disclosed
WO-2017178341-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-19 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 (5 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-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES HCRTR2, HCRTR1, CNR2 KDM4E 2364/4885ASPH 973/4885KDM8 1650/4885
US-20200231575-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-,N-[PYRIDYLAMINO)PROPANYL]- AND N-[(PYRAZINYLAMINOL)PROPANYL]ARYLCARBOXAMIDES HCRTR2, HCRTR1, CNR1 KDM4E 2043/4885ASPH 966/4885KDM8 1227/4885
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity HCRTR2, HCRTR1, CNR1 KDM4E 2986/4885ASPH 578/4885KDM8 981/4885
US-11236072-B2 N-[(pyrimidinylamino)propanyl]-,n-[pyridylamino)propanyl]- and n-[(pyrazinylaminol)propanyl]arylcarboxamides HCRTR2, HCRTR1, CNR1 KDM4E 2339/4885ASPH 1131/4885KDM8 1153/4885
US-20170298053-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES HCRTR2, HCRTR1, CNR1 KDM4E 2400/4885ASPH 760/4885KDM8 1426/4885

“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.