SCHEMBL4066931

SCHEMBL4066931

CC(C)COC(=O)N1CCN(c2nc(-c3ccccc3O)nc3ccsc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HTR1A P08908 1/20 0.43
POLB P06746 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
SMAD3 P84022 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA1 P30542 1/20 0.41
GAA P10253 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GBA1 P04062 2/20 0.40
GLA P06280 1/20 0.40
KLK7 P49862 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIK3CA P42336 4/20 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
SCHEMBL4072435 0.89 CYP1A2 (0.49) KMT2AMEN1HTR1APOLBHRH4
SCHEMBL14340933 0.85 KMT2A (0.47) KMT2AMEN1HTR1APOLBHRH4
SCHEMBL1084994 0.85 MEN1 (0.62) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL5477619 0.84 DRD2 (0.43) KMT2AMEN1HTR1AALDH1A1MAPT
SCHEMBL1084309 0.81 KMT2A (0.49) KMT2AMEN1POLBHRH4ALDH1A1
SCHEMBL14369903 0.81 MEN1 (0.40) KMT2AMEN1HTR1APOLBHRH4
SCHEMBL4075948 0.80 KMT2A (0.45) KMT2AMEN1HTR1APOLBALDH1A1
SCHEMBL1084547 0.77 MEN1 (0.45) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL12781798 0.76 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL12991337 0.75 ALDH1A1 (0.45) KMT2AMEN1POLBALDH1A1MAPT

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
US-8883781-B2 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-8883781-B2 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-8883781-B2 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
EP-2043654-A2 THIENOPYRIMIDINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
WO-2007146284-A2 THIENOPYRIMIDINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO disclosed
WO-2007146284-A2 THIENOPYRIMIDINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO disclosed
US-20070287717-A1 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-12-13 US disclosed
US-20070287717-A1 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-12-13 US disclosed
US-20070287717-A1 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-12-13 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-20070287717-A1 Thienopyrimidines useful as modulators of ion channels KCNJ1, KCNJ2, TRPV1 KMT2A 2787/4885MEN1 2799/4885HTR1A 1107/4885

“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.