SCHEMBL4067013

SCHEMBL4067013

COc1ccccc1C(=O)Nc1scc(C)c1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MAPT P10636 6/20 0.52
TP53 P04637 3/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
KCNK3 O14649 3/20 0.50
KCNK9 Q9NPC2 3/20 0.50
POLB P06746 1/20 0.50
CTSD P07339 1/20 0.50
PTPN1 P18031 1/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KCNMA1 Q12791 1/20 0.47
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7002116 0.84 FLT3 (0.46) KMT2AMAPTRAB9ANPC1MAPK1
SCHEMBL7005437 0.83 PDE4D (0.46) KMT2AMAPTRAB9ANPC1MEN1
SCHEMBL4247199 0.81 HSD17B10 (0.57) MAPTRAB9APOLBGAAMAPK1
SCHEMBL7001335 0.79 BCAT2 (0.52) KMT2AMAPTTP53RAB9ANPC1
SCHEMBL7676444 0.79 FLT3 (0.55) KMT2AMAPTRAB9ANPC1RXFP1
SCHEMBL4758112 0.75 MAPT (0.51) KMT2AMAPTTP53KCNK3KCNK9
SCHEMBL4136987 0.75 KMT2A (0.98) KMT2AMAPTRAB9ANPC1GAA
SCHEMBL7670272 0.73 RAB9A (0.61) RAB9ANPC1POLBMAPK1SMN1; SMN2
SCHEMBL7002930 0.73 RAB9A (0.53) KMT2AMAPTTP53RAB9ANPC1
SCHEMBL1930005 0.73 EPHB4 (0.40) KMT2AMAPTTP53RAB9ANPC1

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 10 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
CN-101500575-A Thienopyrimidines useful as modulators of ion channels VERTEX PHARMA (US) 2009-08-05 CN 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 2787/4885MAPT 2226/4885TP53 3353/4885

“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.