SCHEMBL14738564

SCHEMBL14738564

Clc1cccc(Oc2ccc3[nH]ncc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.60
DYRK1A Q13627 2/20 0.47
ROCK2 O75116 6/20 0.46
ROCK1 Q13464 4/20 0.46
CCR2 P41597 2/20 0.46
CDC7 O00311 1/20 0.46
TRPA1 O75762 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GSK3B P49841 2/20 0.44
DYRK3 O43781 1/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
DYRK2 Q92630 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL19533525 0.84 DYRK3 (0.57) NOS1DYRK1AROCK2ROCK1CCR2
SCHEMBL5416090 0.77 AKR1C3 (0.56) ROCK2ROCK1CYP2C9JAK2KDM4E
SCHEMBL27074803 0.76 GSK3B (0.70) NOS1DYRK1AROCK2ROCK1CDC7
SCHEMBL6281463 0.76 RAB9A (0.56) NOS1ROCK2ROCK1GSK3BCLK4
SCHEMBL3540025 0.76 NOS1 (1.00) NOS1DYRK1AROCK2ROCK1TRPA1
SCHEMBL28707122 0.75 NOS1 (0.46) NOS1DYRK1AROCK2ROCK1CCR2
SCHEMBL10715309 0.74 MAPT (0.54) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL29924283 0.74 RHEB (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL6206121 0.74 RHEB (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL28247510 0.74 GSK3B (0.76) DYRK1AROCK2ROCK1CDC7TRPA1

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 11 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-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-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US 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
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 NOS1 639/4885DYRK1A 458/4885ROCK2 484/4885

“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.