SCHEMBL265483

SCHEMBL265483

O=C(OCc1ccccc1)N1CCC(S(=O)(=O)c2cccc(Br)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
F13A1 P00488 3/20 0.47
TGM2 P21980 3/20 0.47
TGM1 P22735 3/20 0.47
TGM3 Q08188 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
GRIN2B Q13224 7/20 0.46
HTT P42858 1/20 0.46
HTR2A P28223 2/20 0.45

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
SCHEMBL4273566 0.88 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29254531 0.80 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31198753 0.80 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL23301488 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29942602 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL477255 0.78 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1487217 0.78 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL10297355 0.78 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29943050 0.77 KDM4E (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL23301159 0.77 KDM4E (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
EP-1951684-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES Targegen, Inc. (US) 2008-08-06 EP disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO 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-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SMN1; SMN2 4746/4885NPC1 4069/4885RAB9A 2207/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SMN1; SMN2 4746/4885NPC1 4069/4885RAB9A 2207/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 SMN1; SMN2 4746/4885NPC1 4069/4885RAB9A 2207/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 SMN1; SMN2 4746/4885NPC1 4069/4885RAB9A 2207/4885

“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.