SCHEMBL7997113

SCHEMBL7997113

CNC(=O)Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.64
PIK3CD O00329 3/20 0.63
PIK3C2B O00750 3/20 0.63
PIK3CA P42336 7/20 0.61
PIK3CB P42338 2/20 0.61
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
HDAC3 O15379 1/20 0.49
MTOR P42345 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP3A4 P08684 2/20 0.49
PRKDC P78527 1/20 0.49
RET P07949 1/20 0.47
KDR P35968 1/20 0.47
TGFBR1 P36897 1/20 0.46

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
SCHEMBL12607037 0.90 PIK3CG (0.72) PIK3CGPIK3CDPIK3C2BPIK3CAPIK3CB
SCHEMBL12422410 0.85 PIK3CG (0.61) PIK3CGPIK3CDPIK3C2BPIK3CAPIK3CB
SCHEMBL1787523 0.82 PIK3CD (0.62) PIK3CGPIK3CDPIK3C2BPIK3CAPIK3CB
SCHEMBL681724 0.81 PIK3C2B (0.79) PIK3CGPIK3CDPIK3C2BPIK3CAPIK3CB
SCHEMBL681734 0.80 PIK3CG (0.80) PIK3CGPIK3CDPIK3C2BPIK3CAPIK3CB
SCHEMBL9884219 0.80 PIK3CG (0.64) PIK3CGPIK3CDPIK3C2BPIK3CAPIK3CB
SCHEMBL12422418 0.80 PIK3CG (0.56) PIK3CGPIK3CDPIK3C2BPIK3CAPIK3CB
SCHEMBL1786890 0.80 PIK3CG (0.57) PIK3CGPIK3CDPIK3C2BPIK3CAPIK3CB
SCHEMBL681955 0.79 PIK3C2B (0.88) PIK3CGPIK3CDPIK3C2BPIK3CAPIK3CB
SCHEMBL11901807 0.79 PIK3CG (0.73) PIK3CGPIK3CDPIK3C2BPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009436-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2019-06-05 EP disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 US disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
EP-2313414-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2015-11-04 EP disclosed
US-20150225407-A1 Benzothiazole Kinase Inhibitors and Methods of Use INTELLIKINE LLC 2015-08-13 US disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
US-8993580-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-03-31 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-05-26 US disclosed
WO-2010006086-A2 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-01-14 WO disclosed
WO-2009114874-A2 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2009-09-17 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 (4 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-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 PIK3CG 11/4885PIK3CD 6/4885PIK3C2B 4/4885
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE MTOR, PDPK1, PIKFYVE PIK3CG 33/4885PIK3CD 22/4885PIK3C2B 24/4885
US-20150225407-A1 Benzothiazole Kinase Inhibitors and Methods of Use MTOR, PDPK1, PIKFYVE PIK3CG 33/4885PIK3CD 22/4885PIK3C2B 24/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 PIK3CG 11/4885PIK3CD 6/4885PIK3C2B 4/4885

“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.