SCHEMBL2377031

SCHEMBL2377031

O=C(Nc1ccccc1)Nc1cnc2[nH]ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.58
JAK3 P52333 8/20 0.58
JAK1 P23458 4/20 0.58
KMT2A Q03164 2/20 0.54
EGFR P00533 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
AURKB Q96GD4 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
PIM1 P11309 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
FLT3 P36888 1/20 0.50
PIM3 Q86V86 1/20 0.50
MAPK1 P28482 1/20 0.49
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 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
SCHEMBL12970653 0.82 JAK3 (0.59) JAK2JAK3JAK1MAPK1
SCHEMBL2377932 0.82 RAB9A (0.55) JAK2JAK3JAK1KMT2ANPC1
SCHEMBL2377902 0.82 NPC1 (0.54) JAK2JAK3JAK1NPC1RAB9A
SCHEMBL2377622 0.82 JAK2 (0.54) JAK2JAK3JAK1AURKBFLT3
SCHEMBL12296758 0.81 JAK3 (0.62) JAK2JAK3JAK1MAPK1
SCHEMBL2378478 0.80 JAK2 (0.52) JAK2JAK3JAK1NPC1RAB9A
SCHEMBL2379045 0.80 MAPK1 (0.53) JAK2JAK3JAK1MAPK1
SCHEMBL27855948 0.80 JAK3 (0.52) JAK2JAK3JAK1KMT2ANPC1
SCHEMBL27855943 0.80 MAPK1 (0.53) JAK2JAK3JAK1MAPK1
SCHEMBL2377806 0.80 MAPK1 (0.53) 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.