SCHEMBL15219267

SCHEMBL15219267

Cc1cnc(CN2CCNCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 8/20 0.45
LMNA P02545 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MEN1 O00255 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CCR2 P41597 1/20 0.40
CXCL12 P48061 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PTPN1 P18031 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL11919047 0.82 SIGMAR1 (0.44) CXCR4LMNASIGMAR1MEN1CHRM2
SCHEMBL24135434 0.81 ALDH1A1 (0.45) CXCR4LMNASIGMAR1MEN1CHRM2
SCHEMBL11916031 0.81 SIGMAR1 (0.40) CXCR4LMNASIGMAR1MEN1CHRM2
SCHEMBL20160541 0.79 TNKS (0.45) LMNATNKSPARP1TNKS2TDP1
SCHEMBL7508914 0.79 SIGMAR1 (0.52) CXCR4LMNASIGMAR1MEN1CHRM2
SCHEMBL20322779 0.78 SIGMAR1 (0.38) CXCR4LMNASIGMAR1MEN1CHRM2
SCHEMBL19145771 0.78 SMN1; SMN2 (0.47) CXCR4SIGMAR1MEN1KMT2AHRH3
SCHEMBL20160684 0.77 CXCR4 (0.49) CXCR4LMNASIGMAR1MEN1CHRM2
SCHEMBL26844932 0.76 ALDH1A1 (0.51) TNKSPARP1TNKS2MEN1KMT2A
SCHEMBL25085613 0.75 SIGMAR1 (0.49) CXCR4LMNASIGMAR1MEN1CHRM2

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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 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 (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-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CXCR4 3059/4885LMNA 3954/4885SIGMAR1 3464/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CXCR4 3017/4885LMNA 4121/4885SIGMAR1 3576/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CXCR4 2837/4885LMNA 4289/4885SIGMAR1 3899/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 CXCR4 3186/4885LMNA 4181/4885SIGMAR1 3181/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CXCR4 3059/4885LMNA 3954/4885SIGMAR1 3464/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CXCR4 3059/4885LMNA 3954/4885SIGMAR1 3464/4885

“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.