SCHEMBL2377758

SCHEMBL2377758

Cc1cc2nc(Br)cnc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.59
RET P07949 6/20 0.59
CDK7 P50613 6/20 0.59
CDK5 Q00535 6/20 0.59
PRKAA1 Q13131 6/20 0.59
AURKB Q96GD4 6/20 0.59
CLK4 Q9HAZ1 5/20 0.59
KDR P35968 4/20 0.59
MAPK1 P28482 2/20 0.47
AURKA O14965 5/20 0.45
GSK3B P49841 5/20 0.45
FLT3 P36888 4/20 0.45
LRRK2 Q5S007 4/20 0.45
JAK2 O60674 4/20 0.45
PTK2 Q05397 3/20 0.45
ROCK1 Q13464 3/20 0.45
LIMK1 P53667 2/20 0.45
PAK4 O96013 4/20 0.42
NTRK1 P04629 4/20 0.42
FYN P06241 4/20 0.42

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
SCHEMBL31526668 0.85 CDK5 (0.44) ABL1RETCDK7CDK5PRKAA1
SCHEMBL31526516 0.80 ABL1 (0.51) ABL1RETCDK7CDK5PRKAA1
SCHEMBL20468160 0.80 CDK5 (0.41) ABL1RETCDK7CDK5PRKAA1
SCHEMBL23443031 0.77 ALDH1A1 (0.50) ABL1RETCDK7CDK5PRKAA1
SCHEMBL12400227 0.77 ABL1 (0.51) ABL1RETCDK7CDK5PRKAA1
SCHEMBL27882743 0.77 ABL1 (0.51) ABL1RETCDK7CDK5PRKAA1
SCHEMBL17090692 0.74 ADORA2A (0.38) CDK5BRD4SMN1; SMN2ADORA2AADORA1
SCHEMBL13072745 0.72 ADORA2A (0.37) CDK5BRD4SMN1; SMN2ADORA2AADORA1
SCHEMBL2038921 0.71 BRD4 (0.47) ABL1RETCDK7CDK5PRKAA1
SCHEMBL15021897 0.70 CDK5 (0.73) ABL1RETCDK7CDK5PRKAA1

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 5 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 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
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

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 ABL1 273/4885RET 271/4885CDK7 96/4885

“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.