SCHEMBL14914829

SCHEMBL14914829

Cc1nc(-c2ccccc2Br)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.55
RAB9A P51151 6/20 0.55
NPC1 O15118 6/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
TP53 P04637 4/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
MAPK1 P28482 2/20 0.55
MAPT P10636 4/20 0.53
PDK2 Q15119 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 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
SCHEMBL6566621 0.86 S1PR1 (0.53) SMN1; SMN2RAB9ANPC1L3MBTL1TP53
SCHEMBL12660084 0.81 NPC1 (0.62) SMN1; SMN2RAB9ANPC1L3MBTL1TP53
SCHEMBL9987876 0.78 L3MBTL1 (0.50) SMN1; SMN2RAB9ANPC1L3MBTL1TP53
SCHEMBL7433112 0.78 BCHE (0.58) SMN1; SMN2RAB9ANPC1L3MBTL1TP53
SCHEMBL4386662 0.78 CASP3 (0.68) SMN1; SMN2RAB9ANPC1L3MBTL1TP53
SCHEMBL28925303 0.78 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1L3MBTL1TP53
SCHEMBL7097837 0.77 L3MBTL1 (0.46) SMN1; SMN2RAB9ANPC1L3MBTL1TP53
SCHEMBL6976168 0.77 HTT (0.55) SMN1; SMN2RAB9ANPC1L3MBTL1TP53
SCHEMBL30098423 0.75 MAPT (0.50) SMN1; SMN2RAB9ANPC1L3MBTL1TP53
SCHEMBL9321473 0.75 MAPT (0.50) SMN1; SMN2RAB9ANPC1L3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021068950-A1 AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2021-04-15 WO disclosed
EP-3442967-B1 NOVEL N-[(PYRIMIDINYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-13 EP disclosed
EP-3442963-B1 N-[(PYRAZINYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
EP-3442958-B1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
EP-3442964-B1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
US-9884854-B2 N-[(pyrimidinylamino)propanyl]-and N[(pyrazinylamino)proppanyl]arylcarboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-06 US disclosed
WO-2017178340-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-19 WO disclosed
WO-2017178338-A1 NOVEL N-[(PYRIMIDINYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-19 WO disclosed
WO-2017178339-A1 NOVEL N-[(PYRAZINYLOXY)PROPANYL]BENZAMIDES 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
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US 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 (2 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN SMN1; SMN2 4689/4885RAB9A 1250/4885NPC1 2557/4885
US-20170298053-A1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES HCRTR2, HCRTR1, CNR1 SMN1; SMN2 1180/4885RAB9A 3024/4885NPC1 291/4885

“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.