SCHEMBL14737225

SCHEMBL14737225

CC(N)C1CN(S(C)(=O)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
PAX8 Q06710 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
SCHEMBL8077317 0.81 TSHR (0.37) TSHRCYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL25045160 0.74 CYP2D6 (0.33) TSHRCYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL17660656 0.71 TSHR (0.34) TSHRCYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL20760334 0.71 TSHR (0.34) TSHRCYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL21516852 0.71 GAA (0.33) TSHRCYP2D6SMN1; SMN2
SCHEMBL3651534 0.70
SCHEMBL13368879 0.70 TSHR (0.44) TSHRCYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL10232851 0.70 TSHR (0.44) TSHRCYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL12384515 0.70 TSHR (0.44) TSHRCYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL3465276 0.69 TSHR (0.43) TSHRDPP4DPP8DPP9DPP7

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
US-RE47428-E1 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-RE47428-E1 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-20190125737-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2019-05-02 US disclosed
US-20190125737-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2019-05-02 US disclosed
US-10016405-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10016405-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10016405-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US 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 (4 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-10016405-B2 Modulators of methyl modifying enzymes, compositions and uses thereof TET1, TET3, EHMT2 TSHR 4426/4885CYP2D6 1357/4885SMN1; SMN2 3191/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 TSHR 2932/4885CYP2D6 2796/4885SMN1; SMN2 4803/4885
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 TSHR 4426/4885CYP2D6 1357/4885SMN1; SMN2 3191/4885
US-20190125737-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 TSHR 4426/4885CYP2D6 1357/4885SMN1; SMN2 3191/4885

“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.