SCHEMBL13173250

SCHEMBL13173250

Cc1ccc(CNc2ncc(C)c(NCC(=O)N(C)C3CCN(CC4CC4)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 4/20 0.38
▸ TYRO3 Q06418 4/20 0.38
▸ FLT3 P36888 3/20 0.37
▸ GAS6 Q14393 3/20 0.37
▸ AXL P30530 1/20 0.37
▸ JAK3 P52333 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ CTNNB1 P35222 6/20 0.36
▸ TCF7L2 Q9NQB0 6/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ CCND3 P30281 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ BRD4 O60885 2/20 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
SCHEMBL2849192 0.92 PRKCQ (0.42) MERTKTYRO3AXLJAK3CTNNB1
SCHEMBL13173260 0.88 ACHE (0.48) SIRT5CTNNB1TCF7L2ACHEBACE1
SCHEMBL2838318 0.82 PYGL (0.34) MERTKTYRO3FLT3GAS6AXL
SCHEMBL2845731 0.82 NUDT1 (0.39) MERTKTYRO3FLT3GAS6AXL
SCHEMBL2847267 0.80 MCHR1 (0.51) CTNNB1TCF7L2ACHEBACE1KCNH2
SCHEMBL2845283 0.73 KCNH2 (0.49) KCNH2
SCHEMBL2843829 0.72 KCNH2 (0.48) KCNH2
Maleic Acid SCHEMBL2850208 0.69 SIGMAR1 (0.52) KCNH2
Fumaric Acid SCHEMBL2850216 0.69 SIGMAR1 (0.52) KCNH2
SCHEMBL4199649 0.67 CCR5 (0.34) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156817-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-13 — — US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 — — US disclosed
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-11-13 — — US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 — — US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 — — 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-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, BDNF MERTK 1819/4885TYRO3 430/4885FLT3 245/4885
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 MERTK 1517/4885TYRO3 488/4885FLT3 225/4885
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 MERTK 1517/4885TYRO3 488/4885FLT3 225/4885

“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.

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