SCHEMBL2377622

SCHEMBL2377622

O=C(NCc1ccccc1)Nc1cnc2[nH]ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.54
JAK3 P52333 6/20 0.54
JAK1 P23458 4/20 0.54
MAPK1 P28482 7/20 0.47
AURKB Q96GD4 2/20 0.47
ROCK1 Q13464 2/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47
PRKCG P05129 1/20 0.47
CDK1 P06493 1/20 0.47
FES P07332 1/20 0.47
RET P07949 1/20 0.47
ROS1 P08922 1/20 0.47
FER P16591 1/20 0.47
FLT1 P17948 1/20 0.47
AXL P30530 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
MAPK9 P45984 1/20 0.47

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 0.88 SMN1; SMN2 (0.53) JAK2JAK3JAK1MAPK1FES
SCHEMBL2378478 0.88 JAK2 (0.52) JAK2JAK3JAK1MAPK1AURKB
SCHEMBL2378630 0.84 RAB9A (0.54) JAK2JAK3JAK1ROCK1ROCK2
SCHEMBL2376301 0.82 JAK2 (0.58) JAK2JAK3JAK1MAPK1MAPK9
SCHEMBL2377031 0.82 JAK2 (0.58) JAK2JAK3JAK1MAPK1AURKB
SCHEMBL2377899 0.79 JAK2 (0.48) JAK2JAK3JAK1MAPK1FES
SCHEMBL12970653 0.78 JAK3 (0.59) JAK2JAK3JAK1MAPK1
SCHEMBL2377514 0.78 CNR1 (0.52) JAK2JAK3JAK1MAPK1
SCHEMBL2379731 0.78 JAK3 (0.54) JAK2JAK3JAK1MAPK1
SCHEMBL27838160 0.78 CDK8 (0.54) 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 11 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
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
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.