SCHEMBL14738530

SCHEMBL14738530

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KCNA3 P22001 2/20 0.36
SCN9A Q15858 3/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
TLR8 Q9NR97 2/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSK P43235 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL14737223 0.90 RORA (0.41) KIF11RORARORCRORBKDM4E
SCHEMBL14737966 0.88 RORA (0.39) RORARORCRORBMAPT
SCHEMBL14738255 0.83 ICMT (0.38) ALDH1A1CNR2CNR1TLR8MAPT
SCHEMBL14737955 0.81 ALDH1A1 (0.36) KIF11KDM4EALDH1A1SCN9ACYP3A4
SCHEMBL14737417 0.81 TLR8 (0.41) RORARORCRORBKDM4EALDH1A1
SCHEMBL14738413 0.80 PSEN1 (0.40) RORARORCRORB
SCHEMBL14738694 0.80 MAPK8 (0.37) ALDH1A1KCNA3CYP3A4CYP2C9CYP2C19
SCHEMBL14737632 0.78 DYRK1A (0.44) KDM4EALDH1A1CNR2CNR1
SCHEMBL14737627 0.77 DRD2 (0.36) TLR8MEN1KMT2A
SCHEMBL14737720 0.76 PGR (0.39) RORARORCRORBKDM4EALDH1A1

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 4 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
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US 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 KIF11 4243/4885RORA 1952/4885RORC 680/4885

“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.