SCHEMBL4257959

SCHEMBL4257959

N#C/C=C\c1cncc(N2CCOCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LRRK2 Q5S007 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
NSD2 O96028 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL99006 1.00 MAPT (0.41) MAPTMEN1KMT2ALRRK2SMN1; SMN2
SCHEMBL99005 1.00 MAPT (0.41) MAPTMEN1KMT2ALRRK2SMN1; SMN2
SCHEMBL98667 0.77 ALDH3A1 (0.46) MAPTMEN1KMT2ALRRK2SMN1; SMN2
SCHEMBL12205229 0.76 LRRK2 (0.51) MAPTMEN1KMT2ALRRK2SMN1; SMN2
SCHEMBL28024744 0.74 CHRNB2 (0.50) MAPTLRRK2SMN1; SMN2KDM4ELMNA
SCHEMBL20153785 0.72 MAPT (0.46) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL100931 0.72 CHRNB2 (0.60) MAPTMEN1KMT2ALRRK2SMN1; SMN2
SCHEMBL16888228 0.70 KDM4E (0.35) MAPTKDM4ECYP11B2
SCHEMBL4092089 0.70 KDM4E (0.35) MAPTKDM4ECYP11B2
SCHEMBL29540651 0.70 KDM4E (0.35) MAPTKDM4ECYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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 (1 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-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MAPT 3547/4885MEN1 3406/4885KMT2A 780/4885

“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.