SCHEMBL3273772

SCHEMBL3273772

CCc1ccc(Br)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
CHEK1 O14757 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AAK1 Q2M2I8 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC1A5 Q15758 1/20 0.35

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
SCHEMBL1366457 0.84 NOS3 (0.49) NOS3NOS1NOS2MAOBMAOA
SCHEMBL365958 0.82 MPO (0.40) MPONOS3NOS1NOS2MAOB
SCHEMBL29529036 0.82 MPO (0.40) MPONOS3NOS1NOS2MAOB
SCHEMBL25447720 0.80 MPO (0.42) MPONOS3NOS1NOS2MAOB
SCHEMBL16956362 0.80 GABRA1 (0.35) SMN1; SMN2GABRA1GABRB2LMNAL3MBTL1
SCHEMBL17289808 0.80 MPO (0.39) MPONOS3NOS1NOS2MAOB
SCHEMBL17157309 0.80 CSNK2A1 (0.49) MPONOS3NOS1NOS2MAOB
SCHEMBL31434232 0.80 MAOB (0.40) MPONOS3NOS1NOS2MAOB
SCHEMBL21224229 0.79 NOS3 (0.49) MPONOS3NOS1NOS2SMN1; SMN2
SCHEMBL1293961 0.79 AAK1 (0.38) MPONOS3NOS1NOS2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2020-05-05 US disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2019-05-02 US disclosed
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2016-11-03 US disclosed
US-8541425-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-09-24 US disclosed
US-7799779-B2 Substituted piperidines as renin inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
EP-1863802-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-16 EP disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-20090306064-A1 Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-1987834-A2 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2008-11-05 EP disclosed
WO-2008096231-A1 ANTIPARASITIC AGENTS PFIZER LIMITED (GB) 2008-08-14 WO disclosed
CN-101151263-A Substituted piperidines as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2008-03-26 CN disclosed
EP-1863802-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103273-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 MPO 2141/4885NOS3 1679/4885NOS1 2756/4885
US-20090306064-A1 Substituted Piperidines as Renin Inhibitors REN, AGTR1, ACE MPO 612/4885NOS3 1670/4885NOS1 1175/4885
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MPO 2141/4885NOS3 1679/4885NOS1 2756/4885
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS ABL1, BTK, LYN MPO 3202/4885NOS3 1822/4885NOS1 3014/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MPO 2141/4885NOS3 1679/4885NOS1 2756/4885

“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.