SCHEMBL14737876

SCHEMBL14737876

CCCC[Sn](CCCC)(CCCC)c1nn(CCCN(C)C)c2ccc(OC(F)F)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.45
KCNH2 Q12809 6/20 0.43
CYP2D6 P10635 2/20 0.43
HTR6 P50406 2/20 0.33
KDM4C Q9H3R0 1/20 0.32
NQO1 P15559 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 3/20 0.32
KAT2B Q92831 2/20 0.31
MCHR1 Q99705 1/20 0.31
CNR1 P21554 2/20 0.31
ACHE P22303 2/20 0.31
CNR2 P34972 2/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 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
SCHEMBL14737353 0.83 SYK (0.36) SYKMCHR1KDM4EHSD17B10
SCHEMBL14751488 0.81 SYK (0.48) SYKKCNH2CYP2D6HTR6KDM4C
SCHEMBL14752768 0.81 SYK (0.49) SYKKCNH2CYP2D6HTR6KDM4C
SCHEMBL14737581 0.80 SYK (0.49) SYKKCNH2CYP2D6HTR6KDM4C
SCHEMBL14737566 0.79 SYK (0.34) SYKKCNH2CYP2D6CYP2C9CNR2
SCHEMBL14738535 0.76 SYK (0.38) SYKCYP2D6ADRA1AHRH1ADRA1B
SCHEMBL14737554 0.70 TLR8 (0.36) SYKADRA1AHRH1ADRA1B
SCHEMBL14738036 0.70 ELANE (0.39) CYP2D6HTR6KDM4CCYP2C9HPGD
SCHEMBL14738334 0.69 MAOA (0.42) HTR6KMT2AMCHR1ACHEHPGD
SCHEMBL14737384 0.69 TTK (0.36) SYK

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 SYK 1/4885KCNH2 3389/4885CYP2D6 2796/4885

“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.