SCHEMBL14738568

SCHEMBL14738568

FC(F)Oc1ccc2[nH]ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
NOS1 P29475 4/20 0.49
ROCK2 O75116 4/20 0.49
RAB9A P51151 3/20 0.49
ROCK1 Q13464 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
METAP2 P50579 1/20 0.49
CSNK2A1 P68400 1/20 0.49
HPGD P15428 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRPA1 O75762 3/20 0.47
CLK1 P49759 2/20 0.45
GSK3B P49841 2/20 0.45
DYRK3 O43781 1/20 0.45
CLK2 P49760 1/20 0.45

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
SCHEMBL16023025 0.83 RAB9A (0.50) MAPTKDM4EALDH1A1GAANOS1
SCHEMBL4112657 0.81 ROCK2 (0.67) MAPTKDM4EALDH1A1GAAROCK2
SCHEMBL10598655 0.79 TRPA1 (0.57) MAPTKDM4EALDH1A1GAANOS1
SCHEMBL1141784 0.77 RAB9A (0.57) MAPTKDM4EALDH1A1GAANOS1
SCHEMBL30141452 0.76 ROCK2 (0.42) MAPTKDM4EALDH1A1GAANOS1
SCHEMBL4569255 0.76 NOS1 (0.49) MAPTKDM4EALDH1A1GAANOS1
SCHEMBL5413632 0.75 ABL1 (0.46) MAPTKDM4EALDH1A1GAANOS1
SCHEMBL16023281 0.75 ABL1 (0.46) MAPTKDM4EALDH1A1GAANOS1
SCHEMBL4509273 0.75 ROCK2 (0.52) MAPTKDM4EALDH1A1GAANOS1
SCHEMBL6574033 0.75 RAB9A (0.49) MAPTKDM4EALDH1A1GAANOS1

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 9 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-105451737-A Pharmaceutical composition and the use thereof, and application regime of said pharmaceutical composition for on-demand contraception Bayer Pharma AG 2016-03-30 CN disclosed
CN-104144922-A As EP2Novel 2H-indazoles as receptor antagonists BAYER IP GMBH 2014-11-12 CN 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 MAPT 3736/4885KDM4E 718/4885ALDH1A1 3755/4885

“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.