SCHEMBL8962270

SCHEMBL8962270

CC(C)(C)C#CC(C)(O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
ATM Q13315 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
SCHEMBL25875169 0.75 AR (0.32)
SCHEMBL13676919 0.73 KMT2A (0.33) KMT2AATM
SCHEMBL6257844 0.73 KMT2A (0.33) KMT2AATM
SCHEMBL4119428 0.73
SCHEMBL179477 0.72
SCHEMBL6257842 0.72
SCHEMBL10903232 0.67 THRB (0.38)
SCHEMBL4479251 0.67 KMT2A (0.31) KMT2AATM
SCHEMBL12778836 0.65
SCHEMBL16154674 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-7897789-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-03-01 US disclosed
US-7772425-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-08-10 US disclosed
US-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-20100076065-A1 VITAMIN D RECEPTOR MODULATORS LU JIANLIANG 2010-03-25 US disclosed
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
US-7582775-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7566803-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-07-28 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090018058-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (US) 2009-01-15 US disclosed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 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 (9 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KMT2A 1042/4885ATM 376/4885
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP24A1, CYP2R1 KMT2A 4096/4885ATM 4856/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KMT2A 1042/4885ATM 376/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KMT2A 1042/4885ATM 376/4885
US-20090018058-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 KMT2A 4153/4885ATM 4833/4885
US-20100076065-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 KMT2A 3802/4885ATM 4770/4885
US-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 KMT2A 4279/4885ATM 4806/4885
US-20070149810-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 KMT2A 3802/4885ATM 4770/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KMT2A 1042/4885ATM 376/4885

“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.