SCHEMBL12673162

SCHEMBL12673162

C=C(C)C(=O)c1c[nH]c2ncc(-c3c[nH]c4ccccc34)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.42
PDGFRB P09619 1/20 0.42
MAPT P10636 3/20 0.42
ALPL P05186 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41
BTK Q06187 1/20 0.40
ITK Q08881 1/20 0.40
CYP2D6 P10635 2/20 0.40
SYK P43405 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR4A2 P43354 1/20 0.40
CREBBP Q92793 1/20 0.40
CLK1 P49759 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL1892509 0.83 JAK3 (0.48) MAPTALPLHTTMAPK1KDM4E
SCHEMBL16948993 0.82 MAPK1 (0.49) MAPK1BTKITKCYP2D6SYK
SCHEMBL1887720 0.79 MAPT (0.39) PDGFRBMAPTALPLHTTMAPK1
SCHEMBL18334779 0.74 PBRM1 (0.69) PBRM1MAPK1MEN1KMT2AALDH1A1
SCHEMBL12672910 0.72 KDM4E (0.38) MAPK1KDM4ECYP2D6SYKALDH1A1
SCHEMBL12402514 0.72 CDK8 (0.43) MAPK1BTKITKCYP2D6SYK
SCHEMBL2343798 0.72 JAK3 (0.49) MAPK1BTKITKNR4A2
SCHEMBL1887710 0.71 DYRK1A (0.50) MAPK1SYKGSK3BDYRK1A
SCHEMBL1633775 0.71 JAK3 (0.49) CYP2D6SYK
SCHEMBL1900041 0.71 JAK3 (0.46) MAPK1CYP2D6SYKDYRK1A

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-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 PBRM1 780/4885PDGFRB 406/4885MAPT 3705/4885

“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.