SCHEMBL14738985

SCHEMBL14738985

CC(C)(N)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
CA1 P00915 11/20 0.50
CA2 P00918 11/20 0.50
CA12 O43570 7/20 0.50
CA9 Q16790 7/20 0.50
EPHX1 P07099 1/20 0.43
HTT P42858 1/20 0.42
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10030615 0.89 TDP1 (0.61) TDP1MEN1GAAKMT2AMAOA
SCHEMBL30980540 0.89 TDP1 (0.61) TDP1MEN1GAAKMT2AMAOA
SCHEMBL2523550 0.89 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL21320306 0.87 TDP1 (0.59) TDP1MEN1GAAKMT2AMAOA
Hydrochloric Acid SCHEMBL2523548 0.87 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL11988214 0.85 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7097924 0.84 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1557954 0.84 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL569251 0.84 TDP1 (0.74) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.84 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA

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 6 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
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 TDP1 619/4885MEN1 3956/4885GAA 2745/4885

“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.