SCHEMBL270607

SCHEMBL270607

CC(C)(C)c1ccc(C[N+]2([O-])CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
MAPT P10636 2/20 0.44
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TEAD1 P28347 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL270821 0.83 SIGMAR1 (0.41) SIGMAR1KCNH2ALDH1A1GAAERCC5
SCHEMBL13494297 0.81 FKBP1A (0.35) MAPTALDH1A1RAB9ANPC1POLB
SCHEMBL12682795 0.81 ALDH1A1 (0.39) ALDH1A1GAARAB9ANPC1POLB
SCHEMBL11496176 0.79 SIGMAR1 (0.47) SIGMAR1MAPTKCNH2ALDH1A1GAA
SCHEMBL18872639 0.77 ALDH1A1 (0.37) MAPTALDH1A1GAATDP1LMNA
SCHEMBL1702299 0.77 HIF1A (0.37) SIGMAR1MAPTALDH1A1POLBLMNA
SCHEMBL12014144 0.77 FKBP1A (0.41) MAPTKCNH2ALDH1A1GAARAB9A
SCHEMBL30071020 0.73 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL13326551 0.72 TSHR (0.41) SIGMAR1MAPTKCNH2POLBLMNA
SCHEMBL301096 0.67 MAPT (0.37) SIGMAR1MAPTKCNH2RAB9ANPC1

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-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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK SIGMAR1 780/4885MAPT 4206/4885KCNH2 3170/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885MAPT 3127/4885KCNH2 3511/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885MAPT 3127/4885KCNH2 3511/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885MAPT 3127/4885KCNH2 3511/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 SIGMAR1 1178/4885MAPT 3127/4885KCNH2 3511/4885

“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.