SCHEMBL906596

SCHEMBL906596

Cn1cc2cc([Sn](C)(C)C)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.44
NSD2 O96028 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
NOTUM Q6P988 1/20 0.36
DYRK3 O43781 3/20 0.34
CLK1 P49759 3/20 0.34
CLK2 P49760 3/20 0.34
DYRK1A Q13627 3/20 0.34
DYRK2 Q92630 3/20 0.34
CLK4 Q9HAZ1 3/20 0.34
DYRK1B Q9Y463 3/20 0.34
DYRK4 Q9NR20 2/20 0.34
GRIN2B Q13224 2/20 0.33
CLK3 P49761 2/20 0.33
BACE1 P56817 1/20 0.33
CHRM1 P11229 4/20 0.32
KDM4C Q9H3R0 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
SCHEMBL906893 0.77 SLC5A2 (0.34) KDM4EALDH1A1NOTUM
SCHEMBL422738 0.75 KDM4E (0.50) KDM4EMAPTNSD2ALDH1A1MAOA
SCHEMBL13106147 0.73 KDM4E (0.49) KDM4EMAPTNSD2ALDH1A1MAOA
SCHEMBL13106149 0.73 KDM4E (0.49) KDM4EMAPTNSD2ALDH1A1MAOA
SCHEMBL509892 0.73 KDM4E (0.49) KDM4EMAPTNSD2ALDH1A1MAOA
SCHEMBL24814672 0.73 KDM4E (0.49) KDM4EMAPTNSD2ALDH1A1MAOA
SCHEMBL653802 0.73 KDM4E (0.72) KDM4EMAPTNSD2ALDH1A1MAOA
SCHEMBL12940550 0.73 KDM4E (0.49) KDM4EMAPTNSD2ALDH1A1MAOA
SCHEMBL19023242 0.73 ESR2 (0.54) KDM4EMAPTNSD2ALDH1A1MAOA
SCHEMBL906617 0.73 KDM4E (0.49) KDM4EMAPTNSD2ALDH1A1MAOA

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
EP-2276759-B1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES LILLY CO ELI (US) 2011-10-19 EP disclosed
US-7932274-B2 3-indazolyl-4-pyridylisothiazoles ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
EP-2276759-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES Eli Lilly & Company (US) 2011-01-26 EP disclosed
US-20090253750-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES ELI LILLY AND COMPANY 2009-10-08 US disclosed
WO-2009123855-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES ELI LILLY AND COMPANY (US) 2009-10-08 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-20090253750-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES CYP3A4, IPO4, JAK3 KDM4E 963/4885MAPT 185/4885NSD2 3536/4885

“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.