SCHEMBL2377899

SCHEMBL2377899

O=C(NCCc1cccnc1)Nc1cnc2[nH]ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.48
JAK3 P52333 6/20 0.48
JAK1 P23458 4/20 0.48
MAPK1 P28482 2/20 0.47
NAMPT P43490 2/20 0.44
PRMT3 O60678 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FES P07332 1/20 0.42
RET P07949 1/20 0.42
MARK3 P27448 1/20 0.42
TYK2 P29597 1/20 0.42
FLT4 P35916 1/20 0.42
SYK P43405 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
PIK3CA P42336 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL2376468 0.89 SMN1; SMN2 (0.53) JAK2JAK3JAK1MAPK1NAMPT
SCHEMBL2378478 0.89 JAK2 (0.52) JAK2JAK3JAK1MAPK1PRMT3
SCHEMBL2377514 0.81 CNR1 (0.52) JAK2JAK3JAK1MAPK1SMN1; SMN2
SCHEMBL2377622 0.79 JAK2 (0.54) JAK2JAK3JAK1MAPK1FES
SCHEMBL27838160 0.77 CDK8 (0.54) JAK2JAK3JAK1MAPK1SMN1; SMN2
SCHEMBL2376301 0.76 JAK2 (0.58) JAK2JAK3JAK1MAPK1PIK3CA
SCHEMBL2378630 0.74 RAB9A (0.54) JAK2JAK3JAK1SMN1; SMN2MEN1
SCHEMBL13330362 0.72 JAK3 (0.57) JAK2JAK3JAK1
SCHEMBL2379731 0.72 JAK3 (0.54) JAK2JAK3JAK1MAPK1PRMT3
SCHEMBL12296758 0.72 JAK3 (0.62) JAK2JAK3JAK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102232076-A Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2011-11-02 CN claimed
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
CN-102232076-A Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2011-11-02 CN disclosed
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 JAK2 5/4885JAK3 2/4885JAK1 1/4885

“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.