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SCHEMBL954375

SCHEMBL954375

CC(=O)Nc1nc2c(-c3cc(-c4ccc(Cl)cc4Cl)c(-c4ncc[nH]4)s3)ncnc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.36
▸ FSCN1 Q16658 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ LIMK1 P53667 2/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ CNR1 P21554 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL17089250 0.93 LIMK1 (0.38) DYRK1AMAPTADORA3ADORA2AADORA1
SCHEMBL954545 0.87 GSK3B (0.33) ADORA3ADORA2AADORA1GSK3BCCNB2
SCHEMBL13257603 0.84 CRHR1 (0.36) ADORA3ADORA2AADORA1GSK3BLIMK1
SCHEMBL17089254 0.81 ADORA3 (0.34) ADORA3ADORA2ALIMK1LIMK2
SCHEMBL12947589 0.79 L3MBTL1 (0.36) DYRK1AFSCN1MAPTLMNAADORA3
SCHEMBL952120 0.79 MAPT (0.33) DYRK1AFSCN1MAPTLMNAADORA3
SCHEMBL12918440 0.78 DPP4 (0.39) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL954033 0.77 CDC7 (0.46) —
SCHEMBL17089258 0.76 CDC7 (0.33) LIMK1LIMK2
SCHEMBL12918441 0.75 ROCK1 (0.39) DYRK1AGSK3BCCNB2CDK1CCNB1

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 9 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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 — — EP disclosed
US-20110003806-A1 Heteroaryls and uses thereof 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
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
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 (1 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-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 DYRK1A 3119/4885FSCN1 4448/4885MAPT 4530/4885

“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.