SCHEMBL953838

SCHEMBL953838

Cc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2F)c(C(N)=O)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.44
DBF4 Q9UBU7 3/20 0.44
SCD O00767 1/20 0.39
ROCK2 O75116 1/20 0.38
FFAR1 O14842 3/20 0.37
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
PPARD Q03181 1/20 0.35
PLK1 P53350 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHB3 P54753 1/20 0.35
POLB P06746 1/20 0.35
IKBKB O14920 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
DCTPP1 Q9H773 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
SCHEMBL957485 0.94 SCD (0.40) CDC7DBF4SCDROCK2FFAR1
SCHEMBL957103 0.91 CDC7 (0.42) CDC7DBF4SCDFFAR1MEN1
SCHEMBL953256 0.89 CDC7 (0.44) CDC7DBF4SCDCCNE1CDK2
SCHEMBL953498 0.88 PLK1 (0.39) SCDROCK2FFAR1PPARDPLK1
SCHEMBL951783 0.82 CDC7 (0.43) CDC7DBF4SCDPPARDEPHB3
SCHEMBL952647 0.82 PLK1 (0.37) SCDFFAR1PPARDPLK1
SCHEMBL956417 0.82 CDC7 (0.51) CDC7DBF4CCNE1CDK2PLK1
SCHEMBL952279 0.81 PDE10A (0.32) SCDFFAR1PPARDMEN1KMT2A
SCHEMBL953207 0.79 CDC7 (0.52) CDC7DBF4MEN1KMT2A
SCHEMBL956857 0.78 TRPM8 (0.49) CDC7DBF4SCDMEN1KMT2A

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 CDC7 601/4885DBF4 3288/4885SCD 2732/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885SCD 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.