SCHEMBL14738535

SCHEMBL14738535

CCCC[Sn](CCCC)(CCCC)c1nn(CCCN(C)C)c2cc(C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
ESR1 P03372 1/20 0.36
TLR8 Q9NR97 2/20 0.35
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CSF1R P07333 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CYP2D6 P10635 2/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
DRD3 P35462 1/20 0.32
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
DNM2 P50570 3/20 0.30

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
SCHEMBL14737554 0.94 TLR8 (0.36) SYKESR1TLR8ADRA1AHRH1
Ammonia Solution, Strong SCHEMBL28813693 0.81 TLR8 (0.35) ESR1TLR8ADORA2AADORA2BPGR
SCHEMBL14737417 0.80 TLR8 (0.41) ESR1TLR8ADORA2AADORA2BPGR
SCHEMBL14752740 0.79 ADORA2A (0.44) SYKCSF1RADORA2AADORA2BCYP2D6
SCHEMBL14738132 0.76 SYK (0.41) SYKADRA1AHRH1ADRA1BHRH3
SCHEMBL14737876 0.76 SYK (0.45) SYKADRA1AHRH1ADRA1BHRH3
SCHEMBL14737310 0.70 KMO (0.38) ESR1ADORA2AADORA2B
SCHEMBL14752738 0.70 ADORA2A (0.46) SYKADORA2AADORA2B
SCHEMBL14737943 0.68 SYK (0.35) SYKADRA1AHRH1ADRA1BCSF1R
SCHEMBL17297930 0.68 CSF1R (0.54) ADRA1AHRH1HRH3CSF1RCYP2D6

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 6 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
CN-104024258-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2014-09-03 CN 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 SYK 1/4885ESR1 4117/4885TLR8 1424/4885

“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.