SCHEMBL2376468

SCHEMBL2376468

O=C(NCc1cccnc1)Nc1cnc2[nH]ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
JAK3 P52333 1/20 0.50
POLB P06746 1/20 0.50
NAMPT P43490 1/20 0.49
FES P07332 1/20 0.49
RET P07949 1/20 0.49
MARK3 P27448 1/20 0.49
TYK2 P29597 1/20 0.49
FLT4 P35916 1/20 0.49
SYK P43405 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL2377899 0.89 JAK2 (0.48) SMN1; SMN2L3MBTL1MEN1KMT2AMAPK1
SCHEMBL2377622 0.88 JAK2 (0.54) MAPK1JAK2JAK1JAK3FES
SCHEMBL2378630 0.81 RAB9A (0.54) SMN1; SMN2L3MBTL1MEN1KMT2AJAK2
SCHEMBL2378478 0.79 JAK2 (0.52) SMN1; SMN2MAPK1JAK2JAK1JAK3
SCHEMBL2376301 0.78 JAK2 (0.58) MAPK1JAK2JAK1JAK3
SCHEMBL2377514 0.74 CNR1 (0.52) SMN1; SMN2MEN1KMT2AMAPK1JAK2
SCHEMBL29460250 0.74 FES (0.81) SMN1; SMN2L3MBTL1MEN1KMT2APOLB
SCHEMBL9130703 0.74 FES (0.81) SMN1; SMN2L3MBTL1MEN1KMT2APOLB
SCHEMBL2379731 0.74 JAK3 (0.54) MAPK1JAK2JAK1JAK3
SCHEMBL27838160 0.74 CDK8 (0.54) SMN1; SMN2MAPK1JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US claimed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US claimed
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 SMN1; SMN2 4845/4885L3MBTL1 3474/4885MEN1 3903/4885

“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.