SCHEMBL14737310

SCHEMBL14737310

CCCC[Sn](CCCC)(CCCC)c1nn(CC)c2cc(Cl)ccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
MAT2A P31153 5/20 0.36
ESR1 P03372 1/20 0.35
MAPK8 P45983 1/20 0.34
KCNA3 P22001 3/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
GSK3B P49841 2/20 0.34
CRHR1 P34998 1/20 0.33
SCN2A Q99250 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL14738694 0.85 MAPK8 (0.37) KMOKDM4CMAPK8KCNA3PSEN1
SCHEMBL14737562 0.77 MAPK8 (0.42) KDM4CMAPK8PSEN1PSEN2APH1B
SCHEMBL14752235 0.73 ADORA2A (0.62) KMOKDM4CADORA2AADORA2BMAT2A
SCHEMBL14738559 0.72 KMO (0.43) KMOKDM4CADORA2AADORA2BMAT2A
SCHEMBL14737554 0.71 TLR8 (0.36) ADORA2AADORA2BESR1
Ammonia Solution, Strong SCHEMBL28813693 0.70 TLR8 (0.35) ADORA2AADORA2BESR1
SCHEMBL14738535 0.70 SYK (0.38) ADORA2AADORA2BESR1
SCHEMBL14737417 0.69 TLR8 (0.41) KDM4CADORA2AADORA2BESR1CRHR1
SCHEMBL14737185 0.69 GSK3B (0.47) MAT2AGSK3B
SCHEMBL14738413 0.69 PSEN1 (0.40) ADORA2AADORA2BESR1PSEN1PSEN2

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 KMO 720/4885KDM4C 1619/4885ADORA2A 4443/4885

“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.