SCHEMBL19477233

SCHEMBL19477233

CCN[C@@H](C)CNc1ncc(C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PCSK9 Q8NBP7 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL21984718 1.00 SIGMAR1 (0.42) SIGMAR1LMNAMAPTADRA2CHTR2A
Hydrochloric Acid SCHEMBL28378836 0.98 SIGMAR1 (0.41) SIGMAR1LMNAMAPTADRA2CHTR2A
Hydrochloric Acid SCHEMBL28378834 0.98 SIGMAR1 (0.41) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL20865922 0.86 RXRA (0.36) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL20714708 0.84 RXRA (0.35) RXRAGRIN1GRIN2BHDAC3HDAC1
SCHEMBL24786393 0.82 ESR1 (0.43) RXRAGRIN1GRIN2BHDAC3HDAC1
SCHEMBL20714620 0.81 SIGMAR1 (0.38) SIGMAR1ADRA1AHTR2BRXRAGRIN1
SCHEMBL21446944 0.79 LCK (0.41) RXRAGRIN1GRIN2BHDAC3HDAC1
SCHEMBL23507732 0.79 NPC1 (0.47) SIGMAR1SLC6A4PCSK9MEN1KMT2A
SCHEMBL20714561 0.79 NPC1 (0.47) SIGMAR1SLC6A4PCSK9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3442966-B1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]- AND N-[(PYRIDINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-10-14 EP 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
US-10710984-B2 N-[(Pyrimidinylamino)propanyl]-and N-[(Pyridinylamino)-propanyl]arylcarboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-07-14 US disclosed
EP-3442964-B1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
US-20190112297-A1 Novel N-[(Pyrimidinylamino)Propanyl]-and N-[(Pyridinylamino)Propanyl]Arylcarboxamides 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
WO-2017178341-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES 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
WO-2017178343-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N-[(PYRIDINYLAMINO)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-20190112297-A1 Novel N-[(Pyrimidinylamino)Propanyl]-and N-[(Pyridinylamino)Propanyl]Arylcarboxamides HCRTR1, HCRTR2, CNR1 SIGMAR1 201/4885LMNA 1070/4885MAPT 1398/4885
US-10710984-B2 N-[(Pyrimidinylamino)propanyl]-and N-[(Pyridinylamino)-propanyl]arylcarboxamides HCRTR1, HCRTR2, CNR1 SIGMAR1 219/4885LMNA 753/4885MAPT 1359/4885
US-20200231575-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-,N-[PYRIDYLAMINO)PROPANYL]- AND N-[(PYRAZINYLAMINOL)PROPANYL]ARYLCARBOXAMIDES HCRTR2, HCRTR1, CNR1 SIGMAR1 214/4885LMNA 1120/4885MAPT 1423/4885
US-11236072-B2 N-[(pyrimidinylamino)propanyl]-,n-[pyridylamino)propanyl]- and n-[(pyrazinylaminol)propanyl]arylcarboxamides HCRTR2, HCRTR1, CNR1 SIGMAR1 179/4885LMNA 920/4885MAPT 1483/4885
US-20170298053-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES HCRTR2, HCRTR1, CNR1 SIGMAR1 176/4885LMNA 1241/4885MAPT 1644/4885

“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.