SCHEMBL2532973

SCHEMBL2532973

Brc1ccc(CCN2CCOCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
POLB P06746 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
IGF1R P08069 2/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
LRRK2 Q5S007 1/20 0.41
LTA4H P09960 1/20 0.40
LSS P48449 1/20 0.40

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
SCHEMBL4625412 0.85 HRH3 (0.54) SIGMAR1L3MBTL3HRH3
SCHEMBL7399231 0.85 HRH3 (0.50) SIGMAR1L3MBTL3HRH3
SCHEMBL1822660 0.84 HRH3 (0.56) KMT2AHTTHRH3
SCHEMBL227159 0.84 HRH3 (0.56) SIGMAR1L3MBTL3HRH3
SCHEMBL29725196 0.84 HRH3 (0.56) KMT2AHTTHRH3
SCHEMBL2930854 0.81 CHRNB2 (0.51) SIGMAR1KMT2AHRH3LTA4H
SCHEMBL113876 0.81 SIGMAR1 (0.53) SIGMAR1POLBL3MBTL3KMT2AHTT
SCHEMBL15987551 0.81 SIGMAR1 (0.60) SIGMAR1POLBL3MBTL3HRH3
SCHEMBL578554 0.78 SIGMAR1 (0.60) SIGMAR1POLBL3MBTL3KMT2ATSHR
SCHEMBL12752879 0.78 SIGMAR1 (0.49) SIGMAR1POLBL3MBTL3KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
EP-2772482-B1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20140275006-A1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-18 US disclosed
US-20140275006-A1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-18 US disclosed
US-20140275006-A1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-18 US disclosed
EP-2772482-A1 AZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-09-03 EP disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 US disclosed
US-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2011-10-20 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 (3 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-20110257100-A1 Inhibitors of Protein Tyrosine Kinase Activity ERBB2, ABL1, FLT1 SIGMAR1 4057/4885POLB 2199/4885L3MBTL3 4490/4885
US-20140275006-A1 AZOLE DERIVATIVE AVPR1B, AVPR1A, AVPR2 SIGMAR1 2028/4885POLB 1814/4885L3MBTL3 4233/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 SIGMAR1 4266/4885POLB 1526/4885L3MBTL3 4756/4885

“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.