SCHEMBL16427770

SCHEMBL16427770

Cc1cnn2cc(-c3cnn(C(C)(C)C)c3)[nH]c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.45
SYK P43405 3/20 0.45
AURKB Q96GD4 2/20 0.45
KDM5B Q9UGL1 4/20 0.37
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
TNKS O95271 5/20 0.34
TNKS2 Q9H2K2 5/20 0.34
PARP1 P09874 4/20 0.34
KDM5A P29375 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
EP300 Q09472 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PARP6 Q2NL67 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TIPARP Q7Z3E1 1/20 0.32
PARP8 Q8N3A8 1/20 0.32
PARP12 Q9H0J9 1/20 0.32

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
SCHEMBL15288923 0.77 TNKS (0.60) FLT3SYKAURKBKDM5BBRD4
SCHEMBL15294716 0.76 BRD4 (0.42) FLT3SYKKDM5BBRD4CREBBP
SCHEMBL15287295 0.73 TNKS (0.57) FLT3SYKKDM5BBRD4CREBBP
SCHEMBL15287075 0.72 TNKS (0.46) FLT3SYKKDM5BBRD4CREBBP
SCHEMBL16427534 0.71 KDM4E (0.49)
SCHEMBL25609010 0.69 KDM4E (0.33)
SCHEMBL16428453 0.69 PDE3B (0.42) KDM5BTNKS
SCHEMBL17102322 0.67 SYK (0.48) FLT3SYKAURKBKDM5BBRD4
SCHEMBL20074321 0.62 KDM5B (0.38) FLT3SYKAURKBKDM5BBRD4
SCHEMBL15527419 0.62 SPR (0.41) BRD4CREBBPEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 EP disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 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 (3 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-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN FLT3 9/4885SYK 1/4885AURKB 439/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN FLT3 9/4885SYK 1/4885AURKB 454/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN FLT3 9/4885SYK 1/4885AURKB 454/4885

“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.