SCHEMBL2378448

SCHEMBL2378448

CC(C)(C)NC(=O)Nc1cnc2[nH]ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.58
JAK2 O60674 12/20 0.58
JAK1 P23458 8/20 0.58
MAPK1 P28482 5/20 0.44
YES1 P07947 3/20 0.44
AURKB Q96GD4 3/20 0.44
NTRK1 P04629 2/20 0.44
ABL1 P00519 1/20 0.44
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 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
SCHEMBL12296758 0.84 JAK3 (0.62) JAK3JAK2JAK1MAPK1
SCHEMBL12245475 0.81 KDM4E (0.59) JAK3JAK2JAK1MAPK1KDM4E
SCHEMBL2376301 0.81 JAK2 (0.58) JAK3JAK2JAK1MAPK1
SCHEMBL2377302 0.81 JAK3 (0.62) JAK3JAK2JAK1MAPK1
SCHEMBL23616433 0.80 JAK3 (0.51) JAK3JAK2JAK1MAPK1
SCHEMBL12970653 0.79 JAK3 (0.59) JAK3JAK2JAK1MAPK1
SCHEMBL27838157 0.78 JAK3 (0.58) JAK3JAK2JAK1MAPK1
SCHEMBL2377031 0.78 JAK2 (0.58) JAK3JAK2JAK1MAPK1AURKB
SCHEMBL2379731 0.76 JAK3 (0.54) JAK3JAK2JAK1MAPK1ALDH1A1
SCHEMBL2377902 0.76 NPC1 (0.54) JAK3JAK2JAK1MAPK1NPC1

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 7 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
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

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 JAK3 2/4885JAK2 5/4885JAK1 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.