SCHEMBL953498

SCHEMBL953498

COc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OCc4ccccc4)cc23)sc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.39
ROCK2 O75116 1/20 0.37
SCD O00767 1/20 0.36
FFAR1 O14842 2/20 0.36
PARP10 Q53GL7 2/20 0.35
PARP15 Q460N3 2/20 0.35
PARP14 Q460N5 1/20 0.35
PPARD Q03181 5/20 0.35
CTSA P10619 2/20 0.35
F2RL3 Q96RI0 1/20 0.34

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
SCHEMBL952647 0.94 PLK1 (0.37) PLK1SCDFFAR1PPARDCTSA
SCHEMBL953838 0.88 CDC7 (0.44) PLK1ROCK2SCDFFAR1PPARD
SCHEMBL953256 0.86 CDC7 (0.44) PLK1SCDPPARD
SCHEMBL955283 0.84 CDC7 (0.36) PLK1CTSAF2RL3
SCHEMBL956260 0.82 PDE10A (0.33) FFAR1PPARDF2RL3
SCHEMBL957485 0.82 SCD (0.40) ROCK2SCDFFAR1PPARD
SCHEMBL957103 0.79 CDC7 (0.42) SCDFFAR1
SCHEMBL951783 0.79 CDC7 (0.43) SCDPPARD
SCHEMBL955503 0.79 CDC7 (0.36) PLK1
SCHEMBL953922 0.78 MAP4K1 (0.36) CTSAF2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 PLK1 558/4885ROCK2 947/4885SCD 2732/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PLK1 1770/4885ROCK2 294/4885SCD 914/4885

“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.