SCHEMBL8006833

SCHEMBL8006833

CNC(=O)Nc1nc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.56
RET P07949 2/20 0.56
PIK3CD O00329 16/20 0.56
MTOR P42345 15/20 0.56
ABL1 P00519 15/20 0.56
SRC P12931 15/20 0.56
PIK3CA P42336 15/20 0.56
PIK3CB P42338 15/20 0.56
PRKDC P78527 15/20 0.56
PIK3CG P48736 14/20 0.56
EGFR P00533 14/20 0.56
HCK P08631 14/20 0.56
EPHB4 P54760 14/20 0.56
PI4KB Q9UBF8 7/20 0.55
BACE1 P56817 1/20 0.55
PIK3C2B O00750 1/20 0.53

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
SCHEMBL1787523 0.91 PIK3CD (0.62) KDRPIK3CDMTORABL1SRC
SCHEMBL8012344 0.90 PIK3CD (0.56) KDRPIK3CDMTORABL1SRC
SCHEMBL8006218 0.89 SRC (0.55) KDRPIK3CDMTORABL1SRC
SCHEMBL1785138 0.88 SRC (0.62) KDRRETPIK3CDMTORABL1
SCHEMBL12651288 0.88 ABL1 (0.55) KDRRETPIK3CDMTORABL1
SCHEMBL18799891 0.84 PIK3CD (0.57) KDRRETPIK3CDMTORABL1
SCHEMBL8008773 0.84 SRC (0.59) KDRPIK3CDMTORABL1SRC
SCHEMBL8012348 0.83 SRC (0.56) KDRPIK3CDMTORABL1SRC
SCHEMBL1789264 0.82 PIK3CA (0.51) KDRRETPIK3CDSRCPIK3CA
SCHEMBL7997108 0.82 SRC (0.57) KDRRETPIK3CDMTORABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDR 698/4885RET 443/4885PIK3CD 6/4885
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE MTOR, PDPK1, PIKFYVE KDR 1128/4885RET 356/4885PIK3CD 22/4885
US-20150225407-A1 Benzothiazole Kinase Inhibitors and Methods of Use MTOR, PDPK1, PIKFYVE KDR 1128/4885RET 356/4885PIK3CD 22/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 KDR 698/4885RET 443/4885PIK3CD 6/4885

“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.