SCHEMBL5256958

SCHEMBL5256958

CN1CCN(c2ccnc(Nc3ccc(-c4nc5ccccc5s4)cc3)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 1.00
▸ FLT4 P35916 4/20 1.00
▸ KDR P35968 4/20 0.57
▸ INSR P06213 2/20 0.57
▸ MKNK1 Q9BUB5 1/20 0.54
▸ AURKB Q96GD4 5/20 0.54
▸ MGLL Q99685 1/20 0.52
▸ HRH4 Q9H3N8 2/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ HRH2 P25021 1/20 0.49
▸ HTR1D P28221 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ HTR5A P47898 1/20 0.49
▸ HTR6 P50406 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
SCHEMBL5260039 0.89 AURKA (0.80) AURKAFLT4KDRINSRMKNK1
SCHEMBL5259629 0.77 AURKA (1.00) AURKAFLT4KDRINSRAURKB
SCHEMBL4784156 0.75 AURKA (0.59) AURKAFLT4MKNK1HRH4ADRA2B
SCHEMBL24155562 0.73 APP (0.76) AURKAFLT4KDRINSRAURKB
SCHEMBL5259732 0.73 KDR (1.00) AURKAFLT4KDRINSRAURKB
SCHEMBL2191127 0.71 AURKA (0.55) AURKAFLT4MEN1KMT2ANPC1
SCHEMBL2190338 0.71 AURKA (0.55) AURKAFLT4KDRMKNK1MEN1
SCHEMBL5263632 0.70 APP (0.63) AURKAFLT4KDRINSRAURKB
SCHEMBL14195557 0.70 APP (0.71) AURKAFLT4KDRINSRAURKB
SCHEMBL18803581 0.70 MKNK1 (1.00) AURKAFLT4KDRMKNK1HRH4

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
WO-2007009524-A1 2-ARYLBENZOTHIAZOLES AND USES THEREOF 4SC AG (DE) 2007-01-25 — — WO disclosed
US-20070021446-A1 2-arylbenzothiazole analogues and uses thereof 4SC AG (DE) 2007-01-25 — — US disclosed
US-20070021446-A1 2-arylbenzothiazole analogues and uses thereof 4SC AG (DE) 2007-01-25 — — US disclosed
US-20070021446-A1 2-arylbenzothiazole analogues and uses thereof 4SC AG (DE) 2007-01-25 — — US disclosed
EP-1746096-A1 2-Arylbenzothiazole analogues and uses thereof in the treatment of cancer 4SC AG (DE) 2007-01-24 — — EP disclosed
EP-1746096-A1 2-Arylbenzothiazole analogues and uses thereof in the treatment of cancer 4SC AG (DE) 2007-01-24 — — EP 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-20070021446-A1 2-arylbenzothiazole analogues and uses thereof NR2E1, NR2E3, NR0B2 AURKA 493/4885FLT4 1772/4885KDR 429/4885

“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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