SCHEMBL19477571

SCHEMBL19477571

CCN[C@@H](C)CNc1cnc(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ PCSK9 Q8NBP7 1/20 0.33
▸ BCDIN3D Q7Z5W3 1/20 0.33
▸ HCRTR1 O43613 12/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ TRPV3 Q8NET8 2/20 0.31
▸ HCRTR2 O43614 3/20 0.31

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
Hydrochloric Acid SCHEMBL28378739 0.99 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2SIGMAR1LMNA
Hydrochloric Acid SCHEMBL28378737 0.99 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2SIGMAR1LMNA
Hydrochloric Acid SCHEMBL30361735 0.99 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2SIGMAR1LMNA
SCHEMBL19203407 0.85 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL30658431 0.85 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL19203405 0.85 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL20715568 0.78 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL20702038 0.74 HCAR3 (0.43) KDM4EALDH1A1SMN1; SMN2PCSK9HCRTR1
SCHEMBL19480704 0.73 SIGMAR1 (0.35) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL19480711 0.73 SIGMAR1 (0.35) SIGMAR1LMNAMAPTADRA2CHTR2A

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-2017178343-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N-[(PYRIDINYLAMINO)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-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-20190112297-A1 Novel N-[(Pyrimidinylamino)Propanyl]-and N-[(Pyridinylamino)Propanyl]Arylcarboxamides HCRTR1, HCRTR2, CNR1 KDM4E 1782/4885ALDH1A1 750/4885SMN1; SMN2 1005/4885
US-10710984-B2 N-[(Pyrimidinylamino)propanyl]-and N-[(Pyridinylamino)-propanyl]arylcarboxamides HCRTR1, HCRTR2, CNR1 KDM4E 1990/4885ALDH1A1 710/4885SMN1; SMN2 842/4885
US-20200231575-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-,N-[PYRIDYLAMINO)PROPANYL]- AND N-[(PYRAZINYLAMINOL)PROPANYL]ARYLCARBOXAMIDES HCRTR2, HCRTR1, CNR1 KDM4E 2043/4885ALDH1A1 809/4885SMN1; SMN2 1638/4885
US-11236072-B2 N-[(pyrimidinylamino)propanyl]-,n-[pyridylamino)propanyl]- and n-[(pyrazinylaminol)propanyl]arylcarboxamides HCRTR2, HCRTR1, CNR1 KDM4E 2339/4885ALDH1A1 748/4885SMN1; SMN2 1129/4885
US-20170298053-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES HCRTR2, HCRTR1, CNR1 KDM4E 2400/4885ALDH1A1 1059/4885SMN1; SMN2 1180/4885

“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.

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