SCHEMBL2377902

SCHEMBL2377902

Cc1ccccc1NC(=O)Nc1cnc2[nH]ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
JAK2 O60674 11/20 0.54
JAK3 P52333 10/20 0.54
JAK1 P23458 8/20 0.54
MAPK1 P28482 1/20 0.47
PIK3CA P42336 1/20 0.47
MAPT P10636 2/20 0.45
DDX3X O00571 1/20 0.45
IMPDH2 P12268 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL2377932 0.85 RAB9A (0.55) NPC1RAB9AJAK2JAK3JAK1
SCHEMBL2377650 0.82 JAK2 (0.51) NPC1RAB9AJAK2JAK3JAK1
SCHEMBL2377031 0.82 JAK2 (0.58) NPC1RAB9AJAK2JAK3JAK1
SCHEMBL12296758 0.80 JAK3 (0.62) JAK2JAK3JAK1MAPK1
SCHEMBL12970653 0.78 JAK3 (0.59) JAK2JAK3JAK1MAPK1
SCHEMBL12245475 0.77 KDM4E (0.59) JAK2JAK3JAK1MAPK1
SCHEMBL2376301 0.76 JAK2 (0.58) JAK2JAK3JAK1MAPK1PIK3CA
SCHEMBL2377302 0.76 JAK3 (0.62) JAK2JAK3JAK1MAPK1
SCHEMBL2378448 0.76 JAK3 (0.58) NPC1RAB9AJAK2JAK3JAK1
SCHEMBL2379045 0.76 MAPK1 (0.53) JAK2JAK3JAK1MAPK1HSD17B10

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 10 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
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 NPC1 4394/4885RAB9A 2557/4885JAK2 5/4885

“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.