SCHEMBL3533761

SCHEMBL3533761

CC(N)Oc1cccc2cn[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.47
▸ RET P07949 2/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ LTK P29376 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAP2K2 P36507 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ CSNK1A1 P48729 1/20 0.45
▸ PRKX P51817 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ MAP2K1 Q02750 1/20 0.45
▸ MST1R Q04912 1/20 0.45
▸ PTK2 Q05397 1/20 0.45

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
SCHEMBL15505902 0.86 NOS1 (0.50) NOS1RETPLK4CHEK1AURKA
SCHEMBL23796148 0.77 NOS1 (0.52) NOS1RETPLK4CHEK1AURKA
SCHEMBL5483794 0.77 HPGD (0.62) NOS1RETPLK4CHEK1AURKA
SCHEMBL8487957 0.75 IDO1 (0.47) NOS1METIDO1
SCHEMBL2611043 0.72 NOS1 (0.53) NOS1RETPLK4CHEK1AURKA
SCHEMBL3533763 0.70 HTR1B (0.53) NOS1RETPLK4CHEK1AURKA
SCHEMBL30539134 0.70 PLK4 (0.61) NOS1RETPLK4CHEK1AURKA
SCHEMBL29317050 0.70 NOS1 (0.51) NOS1RETPLK4CHEK1AURKA
SCHEMBL27784126 0.70 PLK4 (0.53) NOS1RETPLK4CHEK1AURKA
SCHEMBL23067897 0.69 HTR1B (0.47) KDM4EMEN1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 — — US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 — — EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 — — WO disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 — — 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 (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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A NOS1 705/4885RET 2899/4885PLK4 3023/4885

“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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