SCHEMBL1709040

SCHEMBL1709040

CC1CCN(C2CCN(C(C)(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DHCR7 Q9UBM7 3/20 0.38
EBP Q15125 2/20 0.38
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.32
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL24854051 0.88 KDM4E (0.33) KDM4EPOLBMEN1KMT2ADHCR7
SCHEMBL24854055 0.88 KDM4E (0.33) KDM4EPOLBMEN1KMT2ADHCR7
SCHEMBL681110 0.86 PHGDH (0.36) KDM4EPOLBMEN1KMT2AHTT
SCHEMBL11916119 0.84 SIGMAR1 (0.37) KDM4EMEN1KMT2AALDH1A1ALOX15
SCHEMBL117945 0.84 SIGMAR1 (0.41) MEN1KMT2ASIGMAR1
Ammonia Solution, Strong SCHEMBL29214441 0.84 PHGDH (0.34) MEN1KMT2AHTTALDH1A1SIGMAR1
SCHEMBL24854481 0.83 KDM4E (0.35) KDM4EPOLBMEN1KMT2ADHCR7
SCHEMBL23717945 0.83
SCHEMBL16254537 0.83 KDM4E (0.43) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL15804607 0.83 SIGMAR1 (0.31) SIGMAR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20120088768-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2012-04-12 US disclosed
US-8097630-B2 Pinane-substituted pyrimidinediamine derivatives derivatives and pharmaceutical compositions containing the dthe activity of the receptor protein tyrosine kinase Axl. Methods of using erivatives are disclosed as being useful in inhibiting activity of enzyme RIGEL PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-8097630-B2 Pinane-substituted pyrimidinediamine derivatives derivatives and pharmaceutical compositions containing the dthe activity of the receptor protein tyrosine kinase Axl. Methods of using erivatives are disclosed as being useful in inhibiting activity of enzyme RIGEL PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 US disclosed
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-06-26 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 (12 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KDM4E 1708/4885POLB 2553/4885MEN1 2118/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4E 1164/4885POLB 2336/4885MEN1 826/4885
US-20120088768-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 KDM4E 4211/4885POLB 2466/4885MEN1 4368/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4E 1122/4885POLB 2638/4885MEN1 1028/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B KDM4E 1673/4885POLB 187/4885MEN1 738/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 KDM4E 1650/4885POLB 2380/4885MEN1 1214/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 KDM4E 1122/4885POLB 2638/4885MEN1 1028/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KDM4E 1527/4885POLB 2246/4885MEN1 1313/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KDM4E 1527/4885POLB 2246/4885MEN1 1313/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4E 1164/4885POLB 2336/4885MEN1 826/4885
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KDM4E 4278/4885POLB 2453/4885MEN1 4367/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KDM4E 1708/4885POLB 2553/4885MEN1 2118/4885

“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.