SCHEMBL2376301

SCHEMBL2376301

CCNC(=O)Nc1cnc2[nH]ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.58
JAK3 P52333 9/20 0.58
JAK1 P23458 7/20 0.58
CDK8 P49336 1/20 0.51
PIK3CA P42336 8/20 0.49
MAPK1 P28482 5/20 0.49
MAPK8 P45983 5/20 0.49
MAPK9 P45984 5/20 0.49
MAPK10 P53779 5/20 0.49
MAPK14 Q16539 1/20 0.49

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
SCHEMBL27838160 0.87 CDK8 (0.54) JAK2JAK3JAK1CDK8MAPK1
SCHEMBL2379731 0.84 JAK3 (0.54) JAK2JAK3JAK1MAPK1
SCHEMBL12296758 0.84 JAK3 (0.62) JAK2JAK3JAK1MAPK1
SCHEMBL2379317 0.84 JAK2 (0.51) JAK2JAK3JAK1
SCHEMBL12245475 0.84 KDM4E (0.59) JAK2JAK3JAK1MAPK1
SCHEMBL2377622 0.82 JAK2 (0.54) JAK2JAK3JAK1MAPK1MAPK9
SCHEMBL2377302 0.81 JAK3 (0.62) JAK2JAK3JAK1MAPK1
SCHEMBL2378448 0.81 JAK3 (0.58) JAK2JAK3JAK1MAPK1
SCHEMBL27855942 0.80 JAK2 (0.48) JAK2JAK3JAK1CDK8MAPK1
SCHEMBL2378715 0.80 JAK3 (0.64) JAK2JAK3JAK1

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 8 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-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.