SCHEMBL14737751

SCHEMBL14737751

C[C@](N)(Cn1cccn1)OC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
FDPS P14324 1/20 0.33
THRB P10828 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTT P42858 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 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
SCHEMBL14744196 1.00 AR (0.36) ARLMNAPOLBFDPSTHRB
SCHEMBL30171197 0.72 AR (0.46) ARLMNAPOLBFDPSTDP1
SCHEMBL18982195 0.71 THRB (0.37) ARLMNAPOLBFDPSTHRB
SCHEMBL16861331 0.70 FDPS (0.36) ARFDPSTDP1MEN1KMT2A
SCHEMBL29268091 0.70 AR (0.37) ARLMNAPOLBFDPSMEN1
SCHEMBL18338440 0.70 CYP4F2 (0.39) ARLMNAFDPSTHRBMEN1
SCHEMBL18338554 0.68 HTT (0.40) ARLMNAPOLBFDPSTHRB
SCHEMBL20404649 0.68 HTT (0.40) ARLMNAPOLBFDPSTHRB
SCHEMBL27726640 0.68 FDPS (0.37) ARFDPSTHRBTDP1MEN1
SCHEMBL1444746 0.67 FDPS (0.40) ARFDPSMEN1KMT2ATSHR

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
CN-104024258-B Pyrrolopyrazine kinase inhibitors 霍夫曼-拉罗奇有限公司 2017-02-15 CN 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 AR 4758/4885LMNA 4873/4885POLB 2371/4885

“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.