SCHEMBL300800

SCHEMBL300800

CCc1ccc(OCCN2CCCC2)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
SIGMAR1 Q99720 2/20 0.56
POLB P06746 1/20 0.55
MCHR1 Q99705 2/20 0.53
CACNA1F O60840 1/20 0.53
CACNA1D Q01668 1/20 0.53
CACNA1S Q13698 1/20 0.53
CACNA1C Q13936 1/20 0.53
ESR1 P03372 2/20 0.51

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
SCHEMBL10272591 0.88 LTA4H (0.57) LTA4HKDM4EPOLB
SCHEMBL2251487 0.87 LTA4H (0.70) LTA4HSMN1; SMN2SIGMAR1POLBMCHR1
SCHEMBL27221089 0.85 LTA4H (0.71) LTA4HSMN1; SMN2SIGMAR1POLBMCHR1
SCHEMBL10263757 0.83 LTA4H (0.70) LTA4HSMN1; SMN2KDM4EALDH1A1ESR1
SCHEMBL10268381 0.83 LTA4H (0.70) LTA4HSMN1; SMN2KDM4EALDH1A1CACNA1F
SCHEMBL763134 0.82 SMN1; SMN2 (0.71) LTA4HSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL14399501 0.81 TSHR (0.61) LTA4HKDM4EALDH1A1SIGMAR1POLB
SCHEMBL4477326 0.81 LTA4H (0.62) LTA4HSMN1; SMN2KDM4EPOLBMCHR1
SCHEMBL264641 0.81 LTA4H (0.62) LTA4HSMN1; SMN2KDM4EPOLBMCHR1
SCHEMBL2323789 0.81 LTA4H (0.66) LTA4HSMN1; SMN2KDM4EALDH1A1POLB

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 13 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-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
WO-2010017122-A2 METHODS OF TREATING THALASSEMIA TARGEGEN INC. (US) 2010-02-11 WO disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 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
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 (6 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 LTA4H 626/4885SMN1; SMN2 3530/4885KDM4E 1356/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 LTA4H 3846/4885SMN1; SMN2 4746/4885KDM4E 1689/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK LTA4H 1393/4885SMN1; SMN2 2568/4885KDM4E 1205/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 LTA4H 3846/4885SMN1; SMN2 4746/4885KDM4E 1689/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 LTA4H 3846/4885SMN1; SMN2 4746/4885KDM4E 1689/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B LTA4H 2163/4885SMN1; SMN2 730/4885KDM4E 2719/4885

“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.